6-{[4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)phenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Chemical Structure Depiction of
6-{[4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)phenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{[4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)phenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Compound characteristics
| Compound ID: | K906-4717 |
| Compound Name: | 6-{[4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)phenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C23 H19 N3 O4 S2 |
| Smiles: | CC1CN(c2ccccc2S1)S(c1ccc(CN2C(c3cccnc3C2=O)=O)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5175 |
| logD: | 2.5175 |
| logSw: | -2.8383 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.486 |
| InChI Key: | GMUUDXNRNYFRFH-OAHLLOKOSA-N |