N-(2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-bromobenzamide
Chemical Structure Depiction of
N-(2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-bromobenzamide
N-(2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-bromobenzamide
Compound characteristics
| Compound ID: | 8007-6979 |
| Compound Name: | N-(2-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-bromobenzamide |
| Molecular Weight: | 540.46 |
| Molecular Formula: | C24 H18 Br N3 O3 S2 |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5156 |
| logD: | 5.5104 |
| logSw: | -5.3749 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.116 |
| InChI Key: | RDANJCKZSMMAHA-UHFFFAOYSA-N |