Chemical Properties of Benazepril desethyl 3Me (Benazeprilate 3Me)

Benazepril desethyl 3Me (Benazeprilate 3Me)

InChI
InChI=1S/C25H30N2O5/c1-26(22(25(30)32-3)15-13-18-9-5-4-6-10-18)21-16-14-19-11-7-8-12-20(19)27(24(21)29)17-23(28)31-2/h4-12,21-22H,13-17H2,1-3H3/t21-,22-/m1/s1
InChI Key
OITBKUHYWGZZHQ-FGZHOGPDSA-N
Formula
C25H30N2O5
SMILES
COC(=O)CN1C(=O)C(N(C)C(CCc2ccccc2)C(=O)OC)CCc2ccccc21
Molecular Weight1
438.52
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Physical Properties

Property Value Unit Source
ω 0.8946 Relay (1.0) Calculated Property
ΔfG° -17.91 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -621.01 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 138.96 kJ/mol Relay (1.0) Calculated Property
IE 7.61 eV Relay (1.0) Calculated Property
log10WS -2.85 Relay (1.0) Calculated Property
logPoct/wat 2.614 Crippen Calculated Property
McVol 341.140 ml/mol McGowan Calculated Property
Pc 1012.83 kPa Relay (1.0-beta) Calculated Property
Inp 2985.00 NIST
Tboil 743.35 K Relay (1.0) Calculated Property
Tc 1027.34 K Relay (1.0) Calculated Property
Tfus 377.52 K Relay (1.0) Calculated Property
Vc 1.193 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Benazepril Me. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Ajmaline. Galantamin. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Nicocodine. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. Prajmaline. Neopine. 3-propionyl-morphine. Ergotamine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-.

Find more compounds similar to Benazepril desethyl 3Me (Benazeprilate 3Me).

Sources

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