N-[(4-methylphenyl)methyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-[(4-methylphenyl)methyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K953-0673 |
| Compound Name: | N-[(4-methylphenyl)methyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 326.42 |
| Molecular Formula: | C18 H18 N2 O2 S |
| Smiles: | Cc1ccc(CNC(CCN2C(Oc3ccccc23)=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4252 |
| logD: | 3.4252 |
| logSw: | -3.867 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.325 |
| InChI Key: | OOLTVRQDHYQNQD-UHFFFAOYSA-N |