N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | 8008-4498 |
| Compound Name: | N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide |
| Molecular Weight: | 511.46 |
| Molecular Formula: | C24 H19 Br N2 O2 S2 |
| Smiles: | C(Cc1ccccc1)C(Nc1ccc2c(c1)sc(n2)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4768 |
| logD: | 6.4767 |
| logSw: | -6.1507 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.173 |
| InChI Key: | JQQNGRLUCOMLBC-UHFFFAOYSA-N |