N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 4497-0007 |
| Compound Name: | N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 452.39 |
| Molecular Formula: | C17 H18 Br N5 O S2 |
| Smiles: | CCCCc1nnc([nH]1)SCC(Nc1nc(cs1)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9376 |
| logD: | 4.6082 |
| logSw: | -4.5665 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.66 |
| InChI Key: | NASYULIPHYBKBI-UHFFFAOYSA-N |