N-(4-chloro-2-methylphenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
N-(4-chloro-2-methylphenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2101 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 459.88 |
| Molecular Formula: | C21 H15 Cl F N3 O4 S |
| Smiles: | Cc1cc(ccc1NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1686 |
| logD: | 1.8198 |
| logSw: | -3.6729 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.352 |
| InChI Key: | KYRVQWCCQFQTFZ-UHFFFAOYSA-N |