Chemical ID: 4456842

CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)c3ccccc3F)C(=O)OC
Chemical ID:
4456842
Name [?]:
methyl 5-cyano-6-(cyclohexylcarbamoylmethylsulfanyl)-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
SMILES [?]:
CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)c3ccccc3F)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26FN3O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.3991
Area:648.742
Solvation:-4.81949
Coulombic:-58.1295
Bond Count [?]
All:33
Single:25
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:443.535
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.68
LogP (Chemaxon):2.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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