7-(4-chloro-3-nitroanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Chemical Structure Depiction of
7-(4-chloro-3-nitroanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
7-(4-chloro-3-nitroanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | G804-0887 |
| Compound Name: | 7-(4-chloro-3-nitroanilino)-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one |
| Molecular Weight: | 400.84 |
| Molecular Formula: | C18 H13 Cl N4 O3 S |
| Smiles: | C(c1cccs1)N1C(c2c(cccn2)C1=O)Nc1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7475 |
| logD: | 3.7475 |
| logSw: | -4.2344 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.01 |
| InChI Key: | BTLXYAVUPQREIQ-KRWDZBQOSA-N |