N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K953-0373 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 400.8 |
| Molecular Formula: | C17 H12 Cl F3 N2 O2 S |
| Smiles: | C(CN1C(Oc2ccccc12)=S)C(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9088 |
| logD: | 4.736 |
| logSw: | -5.0707 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.002 |
| InChI Key: | DKJQHYAEWVNHKY-UHFFFAOYSA-N |