2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-4156 |
| Compound Name: | 2-amino-4-{4-[(1H-benzimidazol-1-yl)methyl]thiophen-2-yl}-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 535.67 |
| Molecular Formula: | C31 H29 N5 O2 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)OC)c2cc(Cn3cnc4ccccc34)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2632 |
| logD: | 4.26 |
| logSw: | -4.6336 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.124 |
| InChI Key: | PMRWMYPUFLZFKA-NDEPHWFRSA-N |