7-[4-chloro-3-(trifluoromethyl)anilino]-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Chemical Structure Depiction of
7-[4-chloro-3-(trifluoromethyl)anilino]-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
7-[4-chloro-3-(trifluoromethyl)anilino]-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | C612-1146 |
| Compound Name: | 7-[4-chloro-3-(trifluoromethyl)anilino]-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one |
| Molecular Weight: | 423.84 |
| Molecular Formula: | C19 H13 Cl F3 N3 O S |
| Smiles: | C(c1cccs1)N1C(c2c(cccn2)C1=O)Nc1ccc(c(c1)C(F)(F)F)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.08 |
| logD: | 5.08 |
| logSw: | -5.4149 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.929 |
| InChI Key: | KVNQTAQIENKXCP-KRWDZBQOSA-N |