N-(2-chloro-4,6-dimethoxyphenyl)-4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-chloro-4,6-dimethoxyphenyl)-4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzene-1-sulfonamide
N-(2-chloro-4,6-dimethoxyphenyl)-4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E734-2789 |
| Compound Name: | N-(2-chloro-4,6-dimethoxyphenyl)-4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 487.92 |
| Molecular Formula: | C22 H18 Cl N3 O6 S |
| Smiles: | COc1cc(c(c(c1)[Cl])NS(c1ccc(CN2C(c3cccnc3C2=O)=O)cc1)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9582 |
| logD: | -0.2903 |
| logSw: | -3.2221 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.828 |
| InChI Key: | IBCBUQHBFMPZOB-UHFFFAOYSA-N |