N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | D336-5551 |
| Compound Name: | N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 356.51 |
| Molecular Formula: | C19 H20 N2 O S2 |
| Smiles: | CCCC(Nc1ccc2c(c1)sc(n2)SCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2427 |
| logD: | 5.2427 |
| logSw: | -4.9558 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.198 |
| InChI Key: | CJNMCWIYHFCBJZ-UHFFFAOYSA-N |