N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
Chemical Structure Depiction of
N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
Compound characteristics
| Compound ID: | 8008-8576 |
| Compound Name: | N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide |
| Molecular Weight: | 497.43 |
| Molecular Formula: | C23 H17 Br N2 O2 S2 |
| Smiles: | Cc1cccc(c1)C(Nc1ccc2c(c1)sc(n2)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4718 |
| logD: | 6.4697 |
| logSw: | -5.6165 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.387 |
| InChI Key: | HPTJNCBVFBTBNH-UHFFFAOYSA-N |