3-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(4-bromophenyl)propanamide
Chemical Structure Depiction of
3-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(4-bromophenyl)propanamide
3-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(4-bromophenyl)propanamide
Compound characteristics
| Compound ID: | 3926-0049 |
| Compound Name: | 3-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(4-bromophenyl)propanamide |
| Molecular Weight: | 393.32 |
| Molecular Formula: | C16 H13 Br N2 O S2 |
| Smiles: | C(CSc1nc2ccccc2s1)C(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1763 |
| logD: | 5.1761 |
| logSw: | -5.3176 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.198 |
| InChI Key: | MEBIALZEFMYYRM-UHFFFAOYSA-N |