N-{[4-(dimethylamino)phenyl]methyl}-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-(dimethylamino)phenyl]methyl}-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
N-{[4-(dimethylamino)phenyl]methyl}-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E786-2264 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-2-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C23 H21 F N4 O4 S |
| Smiles: | CN(C)c1ccc(CNS(c2cc(ccc2CN2C(c3cccnc3C2=O)=O)F)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0798 |
| logD: | 2.069 |
| logSw: | -3.136 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.963 |
| InChI Key: | MQKFWZSBCGZMOI-UHFFFAOYSA-N |