ethyl 4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8017-4063 |
| Compound Name: | ethyl 4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-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: | CCOC(C1C(C2=C(CCCC2=O)NC=1C)c1cc(Cn2cnc3ccccc23)cs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.808 |
| logD: | -0.2402 |
| logSw: | -3.9244 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.878 |
| InChI Key: | QTPJJQVNTHMWFX-DEOSSOPVSA-N |