ethyl 3-[3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamido]benzoate
Chemical Structure Depiction of
ethyl 3-[3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamido]benzoate
ethyl 3-[3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | K953-0377 |
| Compound Name: | ethyl 3-[3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamido]benzoate |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C19 H18 N2 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC(CCN1C(Oc2ccccc12)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0836 |
| logD: | 4.0835 |
| logSw: | -4.1314 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.756 |
| InChI Key: | GETJRSSQOZDDNU-UHFFFAOYSA-N |