N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide
N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | K781-8300 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-fluorobenzamide |
| Molecular Weight: | 462.9 |
| Molecular Formula: | C22 H17 Cl F2 N2 O3 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1ccc(c(c1)C(Nc1ccc(c(c1)[Cl])F)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2196 |
| logD: | 3.7415 |
| logSw: | -5.6002 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.702 |
| InChI Key: | WIGCTJRXORASDD-UHFFFAOYSA-N |