6-{[3-(2,3-dihydro-4H-1,4-benzoxazine-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-benzoxazine-4-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{[3-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Compound characteristics
| Compound ID: | G115-0029 |
| Compound Name: | 6-{[3-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C23 H19 N3 O6 S |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(N1CCOc2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6318 |
| logD: | 1.6318 |
| logSw: | -2.7045 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.134 |
| InChI Key: | IPVIMXODZXLDKF-UHFFFAOYSA-N |