methyl 4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8017-7900 |
| Compound Name: | methyl 4-{4-[(1H-benzimidazol-1-yl)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(Cn2cnc3ccccc23)c(C)s1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9675 |
| logD: | -0.0807 |
| logSw: | -4.1636 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.298 |
| InChI Key: | VKZVOBHILZKOID-DEOSSOPVSA-N |