Chemical Properties of Nilvadipine M (dehydro-desisopropyl, methyl ester)

InChI

InChI=1S/C17H13N3O6/c1-9-13(16(21)25-2)14(10-5-4-6-11(7-10)20(23)24)15(17(22)26-3)12(8-18)19-9/h4-7H,1-3H3

InChI Key

NNHXMCIQQSAQLS-UHFFFAOYSA-N

Formula

C17H13N3O6

SMILES

COC(=O)c1c(C)nc(C#N)c(C(=O)OC)c1-c1cccc([N+](=O)[O-])c1

Molecular Weight¹

355.30

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	2.410		Crippen Calculated Property
McVol	246.530	ml/mol	McGowan Calculated Property
Inp	[2520.00; 2520.00]
Inp	2520.00		NIST
Inp	2520.00		NIST
Tboil	675.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Nilvadipine M (dehydro-desisopropyl, methyl ester).

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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