ethyl 2-({5-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate
Chemical Structure Depiction of
ethyl 2-({5-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate
ethyl 2-({5-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate
Compound characteristics
| Compound ID: | C612-0964 |
| Compound Name: | ethyl 2-({5-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | CCOC(c1ccccc1NC1c2c(cccn2)C(N1Cc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9677 |
| logD: | 3.9677 |
| logSw: | -4.0423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.985 |
| InChI Key: | UZPVOSWGBDLFTJ-IBGZPJMESA-N |