6-{[3-(2-ethyl-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-ethyl-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-ethyl-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: | K906-5310 |
| Compound Name: | 6-{[3-(2-ethyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 509.6 |
| Molecular Formula: | C25 H23 N3 O5 S2 |
| Smiles: | CCC1CN(c2ccccc2S1)S(c1cc(CN2C(c3cccnc3C2=O)=O)ccc1OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0497 |
| logD: | 3.0497 |
| logSw: | -3.5056 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.117 |
| InChI Key: | CQZFDGGLMLRVHC-QGZVFWFLSA-N |