Chemical ID: 5993089

CCc1ccc(cc1)C(=O)Nc2ccc(cc2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC
Chemical ID:
5993089
Name [?]:
ethyl 4-[4-(4-ethylbenzoyl)aminophenyl]-1,6-dimethyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2ccc(cc2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H27N3O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.75
Area:662.224
Solvation:-2.80563
Coulombic:-62.1649
Bond Count [?]
All:33
Single:23
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:437.556
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.67
LogP (Chemaxon):3.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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