N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methoxybenzamide
Chemical Structure Depiction of
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methoxybenzamide
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methoxybenzamide
Compound characteristics
| Compound ID: | 8008-0935 |
| Compound Name: | N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methoxybenzamide |
| Molecular Weight: | 485.42 |
| Molecular Formula: | C22 H17 Br N2 O2 S2 |
| Smiles: | COc1ccccc1C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.123 |
| logD: | 6.1116 |
| logSw: | -5.4816 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.77 |
| InChI Key: | QTQGIFISEZHFIU-UHFFFAOYSA-N |