6-{[4-(6-chloro-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-(6-chloro-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{[4-(6-chloro-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: | K906-4721 |
| Compound Name: | 6-{[4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 469.9 |
| Molecular Formula: | C22 H16 Cl N3 O5 S |
| Smiles: | C1COc2ccc(cc2N1S(c1ccc(CN2C(c3cccnc3C2=O)=O)cc1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3363 |
| logD: | 2.3363 |
| logSw: | -3.3336 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.504 |
| InChI Key: | FFWJFMOEJVAFBO-UHFFFAOYSA-N |