6-{[4-(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-(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-(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: | K906-4713 |
Compound Name: | 6-{[4-(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: | 449.48 |
Molecular Formula: | C23 H19 N3 O5 S |
Smiles: | Cc1ccc2c(c1)N(CCO2)S(c1ccc(CN2C(c3cccnc3C2=O)=O)cc1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2117 |
logD: | 2.2117 |
logSw: | -2.9536 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 78.504 |
InChI Key: | YCHAKCQTZLPPEG-UHFFFAOYSA-N |