Chemical ID: 5993505

CCOC(=O)C1=C(N(C(=S)NC1c2cccc(c2)NC(=O)CC(C)(C)C)C)C
Chemical ID:
5993505
Name [?]:
ethyl 4-[3-(3,3-dimethylbutanoylamino)phenyl]-1,6-dimethyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCOC(=O)C1=C(N(C(=S)NC1c2cccc(c2)NC(=O)CC(C)(C)C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H29N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.1596
Area:595.728
Solvation:-2.7336
Coulombic:-59.6731
Bond Count [?]
All:29
Single:22
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:403.539
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.98
LogP (Chemaxon):2.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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