ChemDiv3_009644
6-[[4-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: ChemDiv3_009644|IDI1_027554|BRD-K35033485-001-01-7|F0648-0803|6-((4-(4-chlorophenyl)-5-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione|6-[[4-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione|6-{[4-(4-chlorophenyl)-5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C20H21ClN6O3S |
|---|---|
| Molecular Weight | 460.10843 g/mol |
| LogP | 1.9927 |
| Topological Polar Surface Area | 116.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.10843 |
| Monoisotopic Mass | 460.10843 |
| Heavy Atoms | 31 |
| Complexity | 1152.3661 |
Chemical Identifiers
| CAS Number | 852154-66-6 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 |
Product Overview
ChemDiv3_009644 (CAS 852154-66-6), with molecular formula C20H21ClN6O3S and molecular weight 460.10843 g/mol. IUPAC: 6-[[4-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.