Chemical ID: 5993484

CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)c3cccc(c3)C(F)(F)F)C(=O)OC)C
Chemical ID:
5993484
Name [?]:
methyl 1-ethyl-6-methyl-2-thioxo-4-[4-[3-(trifluoromethyl)benzoyl]aminophenyl]-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)c3cccc(c3)C(F)(F)F)C(=O)OC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H22F3N3O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.7372
Area:661.557
Solvation:-3.80169
Coulombic:-79.5951
Bond Count [?]
All:35
Single:25
Double:10
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:477.5
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.69
LogP (Chemaxon):3.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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