N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3,4-dimethoxybenzamide
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | J011-0340 |
| Compound Name: | N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(c3ccc(c(c3)OC)OC)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.4247 |
| logD: | 2.4247 |
| logSw: | -2.848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.644 |
| InChI Key: | QYDISIRRXGROCF-UHFFFAOYSA-N |