6-{[4-fluoro-2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Chemical Structure Depiction of
6-{[4-fluoro-2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{[4-fluoro-2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Compound characteristics
| Compound ID: | K906-4928 |
| Compound Name: | 6-{[4-fluoro-2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C23 H18 F N3 O5 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)S(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3151 |
| logD: | 2.3151 |
| logSw: | -2.971 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.504 |
| InChI Key: | AVHFAXFOIHPHOF-UHFFFAOYSA-N |