N-[4-(diethylamino)-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-(diethylamino)-2-methylphenyl]-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
N-[4-(diethylamino)-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: | E786-2230 |
| Compound Name: | N-[4-(diethylamino)-2-methylphenyl]-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C25 H25 F N4 O4 S |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NS(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0851 |
| logD: | 2.3453 |
| logSw: | -3.4897 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.088 |
| InChI Key: | WHVZXPZJZFJTIS-UHFFFAOYSA-N |