N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,4-dichlorobenzamide
Chemical Structure Depiction of
N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,4-dichlorobenzamide
N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,4-dichlorobenzamide
Compound characteristics
| Compound ID: | 8008-6371 |
| Compound Name: | N-(2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,4-dichlorobenzamide |
| Molecular Weight: | 552.29 |
| Molecular Formula: | C22 H13 Br Cl2 N2 O2 S2 |
| Smiles: | C(C(c1ccc(cc1)[Br])=O)Sc1nc2ccc(cc2s1)NC(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.2762 |
| logD: | 7.2329 |
| logSw: | -6.6676 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.387 |
| InChI Key: | NEORRMJZYLVZFK-UHFFFAOYSA-N |