Chemical ID: 4253776

CCOC(=O)c1c(c(sc1N)C)c2cc(ccc2C)C
Chemical ID:
4253776
Name [?]:
ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methyl-thiophene-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(c(sc1N)C)c2cc(ccc2C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H19NO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.3318
Area:478.423
Solvation:-1.62881
Coulombic:-38.0495
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.394
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.92
LogP (Chemaxon):4.01

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