4-chloro-N-{[4-(3-propyl[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-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
4-chloro-N-{[4-(3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | J011-0476 |
| Compound Name: | 4-chloro-N-{[4-(3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C20 H18 Cl N5 O S |
| Smiles: | CCCc1nnc2n1nc(c1ccc(CNC(c3ccc(cc3)[Cl])=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.9425 |
| logD: | 3.9424 |
| logSw: | -4.4703 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.383 |
| InChI Key: | MWXWORSNYZRRBQ-UHFFFAOYSA-N |