N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-1908 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide |
| Molecular Weight: | 487.55 |
| Molecular Formula: | C22 H21 N3 O6 S2 |
| Smiles: | COc1ccc(CCNS(c2ccc(CN3C(c4cccnc4C3=O)=O)s2)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.4686 |
| logD: | 1.4685 |
| logSw: | -2.5744 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.279 |
| InChI Key: | CMWLMRUPFQBDLM-UHFFFAOYSA-N |