N-(4-methoxy-2-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-(4-methoxy-2-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-(4-methoxy-2-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K953-0498 |
| Compound Name: | N-(4-methoxy-2-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C17 H15 N3 O5 S |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)NC(CCN1C(Oc2ccccc12)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4461 |
| logD: | 3.2816 |
| logSw: | -4.1048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.929 |
| InChI Key: | JULTXXIOJSWWBW-UHFFFAOYSA-N |