3-iodo-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Chemical Structure Depiction of
3-iodo-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
3-iodo-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | J011-0015 |
| Compound Name: | 3-iodo-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide |
| Molecular Weight: | 461.28 |
| Molecular Formula: | C17 H12 I N5 O S |
| Smiles: | C(c1ccc(cc1)c1nn2cnnc2s1)NC(c1cccc(c1)I)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2273 |
| logD: | 3.2271 |
| logSw: | -3.4819 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.057 |
| InChI Key: | CHJNSBWRJZWYGM-UHFFFAOYSA-N |