6-(4-methylphenyl)-7-[3-(methylsulfanyl)anilino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Chemical Structure Depiction of
6-(4-methylphenyl)-7-[3-(methylsulfanyl)anilino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
6-(4-methylphenyl)-7-[3-(methylsulfanyl)anilino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | C999-1180 |
| Compound Name: | 6-(4-methylphenyl)-7-[3-(methylsulfanyl)anilino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C21 H19 N3 O S |
| Smiles: | Cc1ccc(cc1)N1C(c2c(cccn2)C1=O)Nc1cccc(c1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3447 |
| logD: | 4.3447 |
| logSw: | -4.4303 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.299 |
| InChI Key: | WBXRRTMUPIYTMJ-FQEVSTJZSA-N |