2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C592-2988 |
| Compound Name: | 2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 429.97 |
| Molecular Formula: | C21 H24 Cl N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)[Cl])SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6931 |
| logD: | 3.6929 |
| logSw: | -4.0939 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.979 |
| InChI Key: | LDGZHPPUSXGTHB-UHFFFAOYSA-N |