Chemical ID: 5191108

CC(C)(C)c1ccc(cc1)C2NC(=O)C(=C(N2c3ccc(cc3)OC)S)C#N
Chemical ID:
5191108
Name [?]:
1-(4-methoxyphenyl)-4-oxo-6-sulfanyl-2-(4-tert-butylphenyl)-2,3-dihydropyrimidine-5-carbonitrile
SMILES [?]:
CC(C)(C)c1ccc(cc1)C2NC(=O)C(=C(N2c3ccc(cc3)OC)S)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.7261
Area:584.791
Solvation:-3.89365
Coulombic:-42.2106
Bond Count [?]
All:30
Single:21
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.503
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.47
LogP (Chemaxon):5.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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