Chemical ID: 4823767

c1ccc(cc1)N2C(NC(=O)C(=C2S)C#N)c3ccc(cc3)Cl
Chemical ID:
4823767
Name [?]:
2-(4-chlorophenyl)-4-oxo-1-phenyl-6-sulfanyl-2,3-dihydropyrimidine-5-carbonitrile
SMILES [?]:
c1ccc(cc1)N2C(NC(=O)C(=C2S)C#N)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H12ClN3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.1165
Area:507.72
Solvation:-2.57651
Coulombic:-35.5387
Bond Count [?]
All:25
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:341.815
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.36
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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