N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-2-(4-chlorophenoxy)acetamide
Chemical Structure Depiction of
N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-2-(4-chlorophenoxy)acetamide
N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-2-(4-chlorophenoxy)acetamide
Compound characteristics
| Compound ID: | C328-0186 |
| Compound Name: | N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-2-(4-chlorophenoxy)acetamide |
| Molecular Weight: | 490.92 |
| Molecular Formula: | C21 H19 Cl N4 O6 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1nnc(CNC(COc2ccc(cc2)[Cl])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2263 |
| logD: | 2.2263 |
| logSw: | -3.2344 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.287 |
| InChI Key: | FOLRRKTZASFHGL-UHFFFAOYSA-N |