Chemical ID: 6629840

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)C(C)Oc3cccc(c3)Cl
Chemical ID:
6629840
Name [?]:
[4-[2-(3-chlorophenoxy)propanoylaminoiminomethyl]-2-ethoxy-phenyl] 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)C(C)Oc3cccc(c3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H27ClN2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.6251
Area:789.138
Solvation:-8.10338
Coulombic:-62.1066
Bond Count [?]
All:38
Single:26
Double:12
Rotors:13
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:510.966
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:6.73
LogP (Chemaxon):5.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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