N-[(2,5-dimethoxyphenyl)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-[(2,5-dimethoxyphenyl)methyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
N-[(2,5-dimethoxyphenyl)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: | K906-5308 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 497.53 |
| Molecular Formula: | C24 H23 N3 O7 S |
| Smiles: | COc1ccc(c(CNS(c2cc(CN3C(c4cccnc4C3=O)=O)ccc2OC)(=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9102 |
| logD: | 1.91 |
| logSw: | -2.9836 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.963 |
| InChI Key: | PSAJUFQJAIKSBO-UHFFFAOYSA-N |