N-[3-(methylsulfanyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-[3-(methylsulfanyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K953-0388 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C17 H16 N2 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(CCN1C(Oc2ccccc12)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7625 |
| logD: | 3.7625 |
| logSw: | -4.0488 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.002 |
| InChI Key: | AOCGYQDRVLBORI-UHFFFAOYSA-N |