Chemical ID: 5993388

CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)C(C)(C)C)C(=O)OCC(C)C)C
Chemical ID:
5993388
Name [?]:
isobutyl 4-[4-(2,2-dimethylpropanoylamino)phenyl]-1-ethyl-6-methyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)C(C)(C)C)C(=O)OCC(C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H33N3O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.3978
Area:643.624
Solvation:-2.69286
Coulombic:-60.9655
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:431.593
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.87
LogP (Chemaxon):3.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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