N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide
Chemical Structure Depiction of
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 3338-0729 |
| Compound Name: | N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide |
| Molecular Weight: | 554.48 |
| Molecular Formula: | C25 H20 Br N3 O3 S2 |
| Smiles: | C1CN(Cc2ccccc12)S(c1ccc(cc1)C(Nc1nc(cs1)c1ccc(cc1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6085 |
| logD: | 6.6065 |
| logSw: | -6.1653 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.477 |
| InChI Key: | IATJVIGWFBHNMZ-UHFFFAOYSA-N |