Chemical ID: 5993467

CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)CC(C)C)C(=O)OC(C)C)C
Chemical ID:
5993467
Name [?]:
isopropyl 1-ethyl-6-methyl-4-[4-(3-methylbutanoylamino)phenyl]-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)CC(C)C)C(=O)OC(C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H31N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.1599
Area:636.384
Solvation:-2.74966
Coulombic:-59.8276
Bond Count [?]
All:30
Single:23
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:417.566
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.26
LogP (Chemaxon):2.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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