4-chloro-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
4-chloro-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | J011-0172 |
| Compound Name: | 4-chloro-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide |
| Molecular Weight: | 383.86 |
| Molecular Formula: | C18 H14 Cl N5 O S |
| Smiles: | Cc1nnc2n1nc(c1ccc(CNC(c3ccc(cc3)[Cl])=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.765 |
| logD: | 2.7648 |
| logSw: | -3.597 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.183 |
| InChI Key: | YJAUJIIYNNGPNH-UHFFFAOYSA-N |