N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-5540 |
| Compound Name: | N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 390.52 |
| Molecular Formula: | C22 H18 N2 O S2 |
| Smiles: | Cc1ccc(CSc2nc3ccc(cc3s2)NC(c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7824 |
| logD: | 5.7818 |
| logSw: | -5.4459 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.139 |
| InChI Key: | RSBFPWWHZIYERT-UHFFFAOYSA-N |