N-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
N-[(4-chlorophenyl)methyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E912-0238 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 471.92 |
| Molecular Formula: | C22 H18 Cl N3 O5 S |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(NCc1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3586 |
| logD: | 2.3584 |
| logSw: | -3.4752 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.789 |
| InChI Key: | YMXDQUIEKXUJSW-UHFFFAOYSA-N |