N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K953-0364 |
| Compound Name: | N-[2-chloro-5-(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(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5265 |
| logD: | 4.3229 |
| logSw: | -4.7463 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.305 |
| InChI Key: | MRONCNRVBHTCQZ-UHFFFAOYSA-N |