N-(3,4-dichlorophenyl)-3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-fluorobenzamide
N-(3,4-dichlorophenyl)-3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | K781-6311 |
| Compound Name: | N-(3,4-dichlorophenyl)-3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-fluorobenzamide |
| Molecular Weight: | 479.36 |
| Molecular Formula: | C22 H17 Cl2 F N2 O3 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1cc(ccc1F)C(Nc1ccc(c(c1)[Cl])[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8372 |
| logD: | 4.3592 |
| logSw: | -6.1645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.702 |
| InChI Key: | PMMIWDZNMGBYRZ-UHFFFAOYSA-N |