2-bromo-N-(2-{[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
2-bromo-N-(2-{[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
2-bromo-N-(2-{[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8007-2211 |
| Compound Name: | 2-bromo-N-(2-{[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 554.53 |
| Molecular Formula: | C26 H24 Br N3 O2 S2 |
| Smiles: | CC(C(Nc1c(C)cc(C)cc1C)=O)Sc1nc2ccc(cc2s1)NC(c1ccccc1[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6411 |
| logD: | 6.6359 |
| logSw: | -5.6183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.107 |
| InChI Key: | HYVUYRYFLSCFFI-KRWDZBQOSA-N |