6-{[3-(2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Chemical Structure Depiction of
6-{[3-(2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{[3-(2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Compound characteristics
| Compound ID: | G115-0031 |
| Compound Name: | 6-{[3-(2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C23 H19 N3 O5 S2 |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(N1CCSc2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.871 |
| logD: | 1.871 |
| logSw: | -2.777 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.183 |
| InChI Key: | QRUHPLXXIAARNH-UHFFFAOYSA-N |