N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
Chemical Structure Depiction of
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
Compound characteristics
| Compound ID: | 8007-7678 |
| Compound Name: | N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide |
| Molecular Weight: | 469.42 |
| Molecular Formula: | C22 H17 Br N2 O S2 |
| Smiles: | Cc1ccccc1C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5169 |
| logD: | 6.5149 |
| logSw: | -5.6413 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.139 |
| InChI Key: | CQTOSEWUBCMVEW-UHFFFAOYSA-N |