Chemical ID: 5993097

CCOC(=O)C1=C(N(C(=S)NC1c2ccc(cc2)NC(=O)C3CC3c4ccccc4)C)C
Chemical ID:
5993097
Name [?]:
ethyl 1,6-dimethyl-4-[4-(2-phenylcyclopropyl)carbonylaminophenyl]-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCOC(=O)C1=C(N(C(=S)NC1c2ccc(cc2)NC(=O)C3CC3c4ccccc4)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H27N3O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:3
ZAP Information [?]
Total:13.0801
Area:659.091
Solvation:-3.39712
Coulombic:-60.0192
Bond Count [?]
All:35
Single:25
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:449.566
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.63
LogP (Chemaxon):3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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