Chemical ID: 4533962

CC1=C(C(NC(=O)N1C)c2cccs2)C(=O)OCCc3ccccc3
Chemical ID:
4533962
Name [?]:
phenethyl 1,6-dimethyl-2-oxo-4-(2-thienyl)-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=O)N1C)c2cccs2)C(=O)OCCc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.1475
Area:551.724
Solvation:-2.64565
Coulombic:-51.7846
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.44
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.99
LogP (Chemaxon):1.91

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