1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propan-1-one
Chemical Structure Depiction of
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propan-1-one
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propan-1-one
Compound characteristics
| Compound ID: | K953-0687 |
| Compound Name: | 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propan-1-one |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | C(CN1C(Oc2ccccc12)=S)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1304 |
| logD: | 3.1304 |
| logSw: | -3.681 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.888 |
| InChI Key: | CWZMDYGEVLSBMD-UHFFFAOYSA-N |