N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-chlorobenzamide
Chemical Structure Depiction of
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-chlorobenzamide
N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-chlorobenzamide
Compound characteristics
| Compound ID: | 8008-1064 |
| Compound Name: | N-(2-{[(4-bromophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-chlorobenzamide |
| Molecular Weight: | 489.84 |
| Molecular Formula: | C21 H14 Br Cl N2 O S2 |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nc2ccc(cc2s1)NC(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.7532 |
| logD: | 6.7479 |
| logSw: | -6.371 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.139 |
| InChI Key: | JFEDIWGBCFSKGY-UHFFFAOYSA-N |