N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K953-0399 |
| Compound Name: | N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 471.44 |
| Molecular Formula: | C22 H15 F2 N3 O5 S |
| Smiles: | C(CN1C(Oc2ccccc12)=S)C(Nc1cc(cc(c1)Oc1ccc(cc1F)F)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0416 |
| logD: | 5.0367 |
| logSw: | -4.8932 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.218 |
| InChI Key: | MZFUXIHHXHRMOI-UHFFFAOYSA-N |