N-(4-bromo-3-methylphenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-(4-bromo-3-methylphenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K953-0362 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 391.28 |
| Molecular Formula: | C17 H15 Br N2 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCN1C(Oc2ccccc12)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4762 |
| logD: | 4.4756 |
| logSw: | -4.2474 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.002 |
| InChI Key: | LYXHEQGJGIBCTM-UHFFFAOYSA-N |