N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K869-0333 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C22 H26 N2 O4 S |
| Smiles: | CCOc1ccc(CCNC(CCN2C(Oc3ccccc23)=S)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.7849 |
| logD: | 2.7849 |
| logSw: | -3.3695 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.587 |
| InChI Key: | XRSZNBNOQHHCBX-UHFFFAOYSA-N |