5-(3-chlorophenyl)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
5-(3-chlorophenyl)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}furan-2-carboxamide
5-(3-chlorophenyl)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | J011-0416 |
| Compound Name: | 5-(3-chlorophenyl)-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}furan-2-carboxamide |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C23 H18 Cl N5 O2 S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(c3ccc(c4cccc(c4)[Cl])o3)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.5463 |
| logD: | 4.5463 |
| logSw: | -4.6259 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.782 |
| InChI Key: | WUZFJMRKXNBPEH-UHFFFAOYSA-N |