6-{[3-(azepane-1-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Chemical Structure Depiction of
6-{[3-(azepane-1-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{[3-(azepane-1-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Compound characteristics
| Compound ID: | E912-0266 |
| Compound Name: | 6-{[3-(azepane-1-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6813 |
| logD: | 1.6813 |
| logSw: | -2.6395 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.073 |
| InChI Key: | QEIQIOHZEPZMQB-UHFFFAOYSA-N |