N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K953-0669 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C20 H22 N2 O4 S |
| Smiles: | COc1ccc(CCNC(CCN2C(Oc3ccccc23)=S)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2936 |
| logD: | 2.2936 |
| logSw: | -2.8394 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.427 |
| InChI Key: | ZBHYNFKWWZVBCL-UHFFFAOYSA-N |