6-{[4-methoxy-3-(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-methoxy-3-(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-methoxy-3-(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: | G115-0027 |
| Compound Name: | 6-{[4-methoxy-3-(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: | 479.51 |
| Molecular Formula: | C24 H21 N3 O6 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)S(c1cc(CN2C(c3cccnc3C2=O)=O)ccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0892 |
| logD: | 2.0892 |
| logSw: | -2.9102 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.134 |
| InChI Key: | PTBSMYDOAZNRLY-UHFFFAOYSA-N |