N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide
Chemical Structure Depiction of
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | K781-8491 |
| Compound Name: | N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide |
| Molecular Weight: | 512.91 |
| Molecular Formula: | C23 H17 Cl F4 N2 O3 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1ccc(c(c1)C(Nc1ccc(cc1C(F)(F)F)[Cl])=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9924 |
| logD: | 5.7708 |
| logSw: | -6.147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.005 |
| InChI Key: | LRNRDGZJGNRGJY-UHFFFAOYSA-N |