N-(5-chloro-2,4-dimethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
N-(5-chloro-2,4-dimethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-1896 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide |
| Molecular Weight: | 493.94 |
| Molecular Formula: | C20 H16 Cl N3 O6 S2 |
| Smiles: | COc1cc(c(cc1NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 2.5059 |
| logD: | 1.0553 |
| logSw: | -3.426 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.631 |
| InChI Key: | DNTIGYRZASGSLM-UHFFFAOYSA-N |