2-(4-chloro-3-methylphenoxy)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(4-chloro-3-methylphenoxy)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
2-(4-chloro-3-methylphenoxy)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | J011-0444 |
| Compound Name: | 2-(4-chloro-3-methylphenoxy)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 441.94 |
| Molecular Formula: | C21 H20 Cl N5 O2 S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(COc3ccc(c(C)c3)[Cl])=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.9716 |
| logD: | 3.9716 |
| logSw: | -4.3523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.668 |
| InChI Key: | XPNSGFBOZDXZDU-UHFFFAOYSA-N |