N-{[5-({2-[(2H-1,3-benzodioxol-5-yl)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)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-(4-chlorophenoxy)acetamide
N-{[5-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-(4-chlorophenoxy)acetamide
Compound characteristics
| Compound ID: | C328-0164 |
| Compound Name: | N-{[5-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-(4-chlorophenoxy)acetamide |
| Molecular Weight: | 476.89 |
| Molecular Formula: | C20 H17 Cl N4 O6 S |
| Smiles: | C(c1nnc(o1)SCC(Nc1ccc2c(c1)OCO2)=O)NC(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.465 |
| logD: | 2.465 |
| logSw: | -3.3145 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.965 |
| InChI Key: | IQFQMUNJIJBQOX-UHFFFAOYSA-N |