N-(4-fluoro-3-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-(4-fluoro-3-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-(4-fluoro-3-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K953-0505 |
| Compound Name: | N-(4-fluoro-3-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 361.35 |
| Molecular Formula: | C16 H12 F N3 O4 S |
| Smiles: | C(CN1C(Oc2ccccc12)=S)C(Nc1ccc(c(c1)[N+]([O-])=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2611 |
| logD: | 3.0053 |
| logSw: | -3.7452 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.083 |
| InChI Key: | JUFHYBKAUGEPAJ-UHFFFAOYSA-N |