2,2-dimethyl-N-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
2,2-dimethyl-N-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | D336-3851 |
| Compound Name: | 2,2-dimethyl-N-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 400.56 |
| Molecular Formula: | C21 H24 N2 O2 S2 |
| Smiles: | Cc1cccc(c1)OCCSc1nc2ccc(cc2s1)NC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7428 |
| logD: | 5.7427 |
| logSw: | -5.3488 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.829 |
| InChI Key: | AJUGUNXPEKIBRN-UHFFFAOYSA-N |