6-{[2-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-4-fluorophenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Chemical Structure Depiction of
6-{[2-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-4-fluorophenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{[2-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-4-fluorophenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Compound characteristics
| Compound ID: | K906-4936 |
| Compound Name: | 6-{[2-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-4-fluorophenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C22 H16 F N3 O5 S |
| Smiles: | C1COc2ccccc2N1S(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8577 |
| logD: | 1.8577 |
| logSw: | -2.8661 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.504 |
| InChI Key: | LPQYFGWZDFHACL-UHFFFAOYSA-N |