AC1N3PKP
6-[[4-(3-methoxyphenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: SR-01000096883-1|F0648-0442|6-((4-(3-methoxyphenyl)-5-((pyridin-3-ylmethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione|6-[[4-(3-methoxyphenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione|6-{[4-(3-methoxyphenyl)-5-{[(pyridin-3-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C20H18N6O3S |
|---|---|
| Molecular Weight | 422.11612 g/mol |
| LogP | 1.9306 |
| Topological Polar Surface Area | 118.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.11612 |
| Monoisotopic Mass | 422.11612 |
| Heavy Atoms | 30 |
| Complexity | 1237.0295 |
Chemical Identifiers
| CAS Number | 852152-65-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=NN=C2SCC3=CN=CC=C3)CC4=CC(=O)NC(=O)N4 |
Product Overview
AC1N3PKP (CAS 852152-65-9), with molecular formula C20H18N6O3S and molecular weight 422.11612 g/mol. IUPAC: 6-[[4-(3-methoxyphenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
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