N-(2-methoxy-5-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-(2-methoxy-5-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K869-0359 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C17 H15 N3 O5 S |
| Smiles: | COc1ccc(cc1NC(CCN1C(Oc2ccccc12)=S)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8931 |
| logD: | 2.7604 |
| logSw: | -3.6537 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.317 |
| InChI Key: | UFHLEAAORSDIHP-UHFFFAOYSA-N |