6-{[4-(6-chloro-2-ethyl-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-ethyl-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-ethyl-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: | E734-2804 |
| Compound Name: | 6-{[4-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 497.96 |
| Molecular Formula: | C24 H20 Cl N3 O5 S |
| Smiles: | CCC1CN(c2cc(ccc2O1)[Cl])S(c1ccc(CN2C(c3cccnc3C2=O)=O)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0132 |
| logD: | 3.0132 |
| logSw: | -3.5291 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.796 |
| InChI Key: | CXZMYHAXSXDDCR-QGZVFWFLSA-N |