AC1N5K6Q
6-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0797|6-((5-(sec-butylthio)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione|6-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione|6-{[5-(butan-2-ylsulfanyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C17H18ClN5O2S |
|---|---|
| Molecular Weight | 391.08698 g/mol |
| LogP | 2.7787 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.08698 |
| Monoisotopic Mass | 391.08698 |
| Heavy Atoms | 26 |
| Complexity | 980.733 |
Chemical Identifiers
| CAS Number | 852154-63-3 |
|---|---|
| SMILES | CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)Cl)CC3=CC(=O)NC(=O)N3 |
Product Overview
AC1N5K6Q (CAS 852154-63-3), with molecular formula C17H18ClN5O2S and molecular weight 391.08698 g/mol. IUPAC: 6-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
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