N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2-(3-methylphenoxy)acetamide
Chemical Structure Depiction of
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2-(3-methylphenoxy)acetamide
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2-(3-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | J011-0430 |
| Compound Name: | N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2-(3-methylphenoxy)acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(COc3cccc(C)c3)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.1835 |
| logD: | 3.1835 |
| logSw: | -3.1664 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.668 |
| InChI Key: | PBEBKWKMBVWPQR-UHFFFAOYSA-N |