Chemical Properties of Cilazapril Me

InChI

InChI=1S/C24H35N3O5/c1-4-32-24(30)20(15-14-18-10-6-5-7-11-18)25(2)19-12-8-16-26-17-9-13-21(23(29)31-3)27(26)22(19)28/h5-7,10-11,19-21H,4,8-9,12-17H2,1-3H3/t19-,20-,21?/m0/s1

InChI Key

RTTXUCGGFZMPJT-AHTKWCMKSA-N

Formula

C24H35N3O5

SMILES

CCOC(=O)C(CCc1ccccc1)N(C)C1CCCN2CCCC(C(=O)OC)N2C1=O

Molecular Weight¹

445.55

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8633		Relay (1.0) Calculated Property
ΔfG°	-75.30	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-775.59	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	132.38	kJ/mol	Relay (1.0) Calculated Property
IE	7.37	eV	Relay (1.0) Calculated Property
log10WS	-1.96		Relay (1.0) Calculated Property
logPoct/wat	2.026		Crippen Calculated Property
McVol	349.930	ml/mol	McGowan Calculated Property
Pc	573.64	kPa	Relay (1.0-beta) Calculated Property
Inp	[3010.00; 3010.00]
Inp	3010.00		NIST
Inp	3010.00		NIST
Tboil	729.83	K	Relay (1.0) Calculated Property
Tc	1001.57	K	Relay (1.0) Calculated Property
Tfus	376.37	K	Relay (1.0) Calculated Property
Vc	1.232	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Cilazapril Me.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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