N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3-fluorobenzamide
Chemical Structure Depiction of
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3-fluorobenzamide
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | J011-0319 |
| Compound Name: | N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3-fluorobenzamide |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C19 H16 F N5 O S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(c3cccc(c3)F)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.9232 |
| logD: | 2.923 |
| logSw: | -3.3794 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.383 |
| InChI Key: | VCKBWAMGBMXFPE-UHFFFAOYSA-N |