Chemical ID: 5994005

CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(F)(F)F)C(=O)OCC)C
Chemical ID:
5994005
Name [?]:
ethyl 1-ethyl-6-methyl-2-thioxo-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(F)(F)F)C(=O)OCC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H25F3N4O3S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.7715
Area:697.077
Solvation:-3.65548
Coulombic:-92.4428
Bond Count [?]
All:37
Single:27
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:506.542
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:4.6
LogP (Chemaxon):4.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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