AC1MN3EH
6-[[4-(4-chlorophenyl)-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0806|6-((4-(4-chlorophenyl)-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione|6-[[4-(4-chlorophenyl)-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione|6-{[4-(4-chlorophenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C21H23ClN6O3S |
|---|---|
| Molecular Weight | 474.12408 g/mol |
| LogP | 2.2387 |
| Topological Polar Surface Area | 116.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.12408 |
| Monoisotopic Mass | 474.12408 |
| Heavy Atoms | 32 |
| Complexity | 1183.0132 |
Chemical Identifiers
| CAS Number | 852154-69-9 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 |
Product Overview
AC1MN3EH (CAS 852154-69-9), with molecular formula C21H23ClN6O3S and molecular weight 474.12408 g/mol. IUPAC: 6-[[4-(4-chlorophenyl)-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.