3-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}butanamide
Chemical Structure Depiction of
3-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}butanamide
3-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}butanamide
Compound characteristics
| Compound ID: | J011-0219 |
| Compound Name: | 3-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}butanamide |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C16 H19 N5 O S |
| Smiles: | CC(C)CC(NCc1ccc(cc1)c1nn2c(C)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9183 |
| logD: | 1.9183 |
| logSw: | -2.4846 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.242 |
| InChI Key: | DKXOIMPKDCJLPF-UHFFFAOYSA-N |