N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2-(phenylsulfanyl)acetamide
Chemical Structure Depiction of
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2-(phenylsulfanyl)acetamide
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2-(phenylsulfanyl)acetamide
Compound characteristics
| Compound ID: | J011-0397 |
| Compound Name: | N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-2-(phenylsulfanyl)acetamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C20 H19 N5 O S2 |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(CSc3ccccc3)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.117 |
| logD: | 3.117 |
| logSw: | -3.2356 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.169 |
| InChI Key: | RSBPWPKJMWLOEF-UHFFFAOYSA-N |