N-{[5-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{[5-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide
N-{[5-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | C328-0461 |
| Compound Name: | N-{[5-({2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 530.91 |
| Molecular Formula: | C21 H18 Cl F3 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)C(NCc1nnc(o1)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9946 |
| logD: | 2.9619 |
| logSw: | -3.6399 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.127 |
| InChI Key: | FYXYAFPPDGTVPI-UHFFFAOYSA-N |