N-(2-cyanophenyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
N-(2-cyanophenyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8018-0450 |
| Compound Name: | N-(2-cyanophenyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 323.37 |
| Molecular Formula: | C17 H13 N3 O2 S |
| Smiles: | Cc1ccc2c(c1)oc(n2)SCC(Nc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3702 |
| logD: | 3.3693 |
| logSw: | -3.763 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.138 |
| InChI Key: | BSCQJYDMKPGRAG-UHFFFAOYSA-N |