Chemical ID: 5993907

Cc1cccc(c1NC(=O)Nc2ccc(cc2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC(C)C)C
Chemical ID:
5993907
Name [?]:
isobutyl 4-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]-1,6-dimethyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
Cc1cccc(c1NC(=O)Nc2ccc(cc2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC(C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H32N4O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:14.8874
Area:715.458
Solvation:-2.99903
Coulombic:-74.5538
Bond Count [?]
All:36
Single:26
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:480.623
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:4.36
LogP (Chemaxon):3.51

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue