Chemical ID: 6194958

CCCCOC(=O)CSC1=C(C(C(=C(N1)c2ccccc2)C(=O)OCC)c3cccnc3)C#N
Chemical ID:
6194958
Name [?]:
ethyl 6-(butoxycarbonylmethylsulfanyl)-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate
SMILES [?]:
CCCCOC(=O)CSC1=C(C(C(=C(N1)c2ccccc2)C(=O)OCC)c3cccnc3)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H27N3O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.0277
Area:718.672
Solvation:-4.93905
Coulombic:-57.4195
Bond Count [?]
All:36
Single:25
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:477.576
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.46
LogP (Chemaxon):3.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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