4-bromo-N-(2-{[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-bromo-N-(2-{[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-bromo-N-(2-{[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8007-4329 |
| Compound Name: | 4-bromo-N-(2-{[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 554.53 |
| Molecular Formula: | C26 H24 Br N3 O2 S2 |
| Smiles: | CCc1cccc(CC)c1NC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0353 |
| logD: | 7.0301 |
| logSw: | -5.6485 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.893 |
| InChI Key: | HILYDOMKUZBZSJ-UHFFFAOYSA-N |