N-[4-bromo-3-(2-chlorobenzoyl)phenyl]-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide
Chemical Structure Depiction of
N-[4-bromo-3-(2-chlorobenzoyl)phenyl]-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide
N-[4-bromo-3-(2-chlorobenzoyl)phenyl]-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 3338-0750 |
| Compound Name: | N-[4-bromo-3-(2-chlorobenzoyl)phenyl]-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide |
| Molecular Weight: | 609.93 |
| Molecular Formula: | C29 H22 Br Cl N2 O4 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1ccc(cc1)C(Nc1ccc(c(c1)C(c1ccccc1[Cl])=O)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6862 |
| logD: | 6.625 |
| logSw: | -6.2782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.17 |
| InChI Key: | PXFGDUDOUNXDEQ-UHFFFAOYSA-N |