N-(3-chloro-4-fluorophenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
N-(3-chloro-4-fluorophenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-2003 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide |
| Molecular Weight: | 451.88 |
| Molecular Formula: | C18 H11 Cl F N3 O4 S2 |
| Smiles: | C(c1ccc(s1)S(Nc1ccc(c(c1)[Cl])F)(=O)=O)N1C(c2cccnc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7661 |
| logD: | 1.2898 |
| logSw: | -3.733 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.068 |
| InChI Key: | UPIDYYQKRLJOFQ-UHFFFAOYSA-N |