2,2-dimethyl-N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
2,2-dimethyl-N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | D336-5555 |
| Compound Name: | 2,2-dimethyl-N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 370.53 |
| Molecular Formula: | C20 H22 N2 O S2 |
| Smiles: | Cc1ccc(CSc2nc3ccc(cc3s2)NC(C(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4785 |
| logD: | 5.4785 |
| logSw: | -5.3155 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.411 |
| InChI Key: | MQKCVGZARTVPOA-UHFFFAOYSA-N |