5-chloro-2-methoxy-N-{[4-(3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Chemical Structure Depiction of
5-chloro-2-methoxy-N-{[4-(3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
5-chloro-2-methoxy-N-{[4-(3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | J011-0517 |
| Compound Name: | 5-chloro-2-methoxy-N-{[4-(3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide |
| Molecular Weight: | 441.94 |
| Molecular Formula: | C21 H20 Cl N5 O2 S |
| Smiles: | CCCc1nnc2n1nc(c1ccc(CNC(c3cc(ccc3OC)[Cl])=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.3092 |
| logD: | 4.3059 |
| logSw: | -4.614 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.013 |
| InChI Key: | CRAJCCWESSRWBO-UHFFFAOYSA-N |