N-{[4-(4-bromophenyl)-5-(butylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-(butylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide
N-{[4-(4-bromophenyl)-5-(butylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide
Compound characteristics
| Compound ID: | K400-07814 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-(butylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenylacetamide |
| Molecular Weight: | 459.41 |
| Molecular Formula: | C21 H23 Br N4 O S |
| Smiles: | CCCCSc1nnc(CNC(Cc2ccccc2)=O)n1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8489 |
| logD: | 4.8489 |
| logSw: | -4.602 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.432 |
| InChI Key: | PGSNWWAEHYRTPW-UHFFFAOYSA-N |