Chemical ID: 4822762

Cc1ccc(cc1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)c3ccc(c(c3)OC)O)C#N
Chemical ID:
4822762
Name [?]:
allyl 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-6-(p-tolylcarbamoylmethylsulfanyl)-1,4-dihydropyridine-3-carboxylate
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)c3ccc(c(c3)OC)O)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H27N3O5S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.659
Area:760.892
Solvation:-7.36332
Coulombic:-77.6195
Bond Count [?]
All:38
Single:26
Double:11
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:505.586
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:3.82
LogP (Chemaxon):3.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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