Chemical ID: 6451102

CC1=C(C(C(=C(N1)SC)C#N)c2ccccc2)C(=O)OC
Chemical ID:
6451102
Name [?]:
methyl 5-cyano-2-methyl-6-methylsulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
SMILES [?]:
CC1=C(C(C(=C(N1)SC)C#N)c2ccccc2)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H16N2O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.26933
Area:469.051
Solvation:-2.45696
Coulombic:-34.8494
Bond Count [?]
All:22
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.377
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.78
LogP (Chemaxon):2.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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