methyl 4-({5-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({5-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate
methyl 4-({5-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate
Compound characteristics
| Compound ID: | C612-0797 |
| Compound Name: | methyl 4-({5-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C20 H17 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC1c2c(cccn2)C(N1Cc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6842 |
| logD: | 3.6842 |
| logSw: | -3.8967 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.103 |
| InChI Key: | VGWPEGYTTRUCFX-SFHVURJKSA-N |