N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K869-0284 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamide |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C18 H16 N2 O4 S |
| Smiles: | C(CN1C(Oc2ccccc12)=S)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9149 |
| logD: | 2.9149 |
| logSw: | -3.4859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.44 |
| InChI Key: | CNKPFDQMOMCFHO-UHFFFAOYSA-N |