N-(3,4-difluorophenyl)-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide
N-(3,4-difluorophenyl)-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | K781-8089 |
| Compound Name: | N-(3,4-difluorophenyl)-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide |
| Molecular Weight: | 446.45 |
| Molecular Formula: | C22 H17 F3 N2 O3 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1ccc(c(c1)C(Nc1ccc(c(c1)F)F)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8461 |
| logD: | 3.368 |
| logSw: | -4.7342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.702 |
| InChI Key: | AACGYPMLTNVGRX-UHFFFAOYSA-N |