4-tert-butyl-N-(2-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(2-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-tert-butyl-N-(2-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8008-9649 |
| Compound Name: | 4-tert-butyl-N-(2-{[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 524.1 |
| Molecular Formula: | C27 H26 Cl N3 O2 S2 |
| Smiles: | Cc1ccc(cc1NC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)C(C)(C)C)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.3912 |
| logD: | 7.3905 |
| logSw: | -6.4209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.591 |
| InChI Key: | SJQNHCHAVQYDSJ-UHFFFAOYSA-N |