N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}pentanamide
Chemical Structure Depiction of
N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}pentanamide
N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}pentanamide
Compound characteristics
| Compound ID: | J011-0217 |
| Compound Name: | N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}pentanamide |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C16 H19 N5 O S |
| Smiles: | CCCCC(NCc1ccc(cc1)c1nn2c(C)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8932 |
| logD: | 1.8932 |
| logSw: | -2.4533 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.242 |
| InChI Key: | QLCSYNAVSCWJPZ-UHFFFAOYSA-N |