N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | D336-5539 |
| Compound Name: | N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 328.45 |
| Molecular Formula: | C17 H16 N2 O S2 |
| Smiles: | CC(Nc1ccc2c(c1)sc(n2)SCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2577 |
| logD: | 4.2576 |
| logSw: | -4.2215 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.31 |
| InChI Key: | QHBQCPOFMICKHM-UHFFFAOYSA-N |