N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-4-[(propan-2-yl)oxy]benzamide
Chemical Structure Depiction of
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-4-[(propan-2-yl)oxy]benzamide
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-4-[(propan-2-yl)oxy]benzamide
Compound characteristics
| Compound ID: | J011-0354 |
| Compound Name: | N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-4-[(propan-2-yl)oxy]benzamide |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(c3ccc(cc3)OC(C)C)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.467 |
| logD: | 3.467 |
| logSw: | -3.6223 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.185 |
| InChI Key: | YMRAQSYRMFHZKN-UHFFFAOYSA-N |