AC1NP04I
3-methyl-N-[[5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: SR-01000542499-1|F0514-0147|3-methyl-N-{[5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide|3-methyl-N-((5-((2-oxo-2-(3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide|3-methyl-N-[[5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C33H30N6O2S2 |
|---|---|
| Molecular Weight | 606.1872 g/mol |
| LogP | 6.34564 |
| Topological Polar Surface Area | 92.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 606.1872 |
| Monoisotopic Mass | 606.1872 |
| Heavy Atoms | 43 |
| Complexity | 1764.949 |
Chemical Identifiers
| CAS Number | 362502-29-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CNC(=O)C5=CC=CC(=C5)C)C6=CC=CS6 |
Product Overview
AC1NP04I (CAS 362502-29-2), with molecular formula C33H30N6O2S2 and molecular weight 606.1872 g/mol. IUPAC: 3-methyl-N-[[5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide.