N-(3-chloro-4-fluorophenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
N-(3-chloro-4-fluorophenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E912-0349 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 475.88 |
| Molecular Formula: | C21 H15 Cl F N3 O5 S |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(Nc1ccc(c(c1)[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.567 |
| logD: | 0.298 |
| logSw: | -3.5008 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.68 |
| InChI Key: | KYTHQVLEMHJNFH-UHFFFAOYSA-N |