AC1N7VG1
N-[[4-benzyl-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
Also Known As: SR-01000543034-1|F0514-4950|N-((4-benzyl-5-((2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)thiophene-2-carboxamide|N-{[4-benzyl-5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide|N-[[4-benzyl-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
| Molecular Formula | C30H25FN6O2S3 |
|---|---|
| Molecular Weight | 616.1185 g/mol |
| LogP | 5.9885 |
| Topological Polar Surface Area | 92.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 616.1185 |
| Monoisotopic Mass | 616.1185 |
| Heavy Atoms | 42 |
| Complexity | 1686.7394 |
Chemical Identifiers
| CAS Number | 393783-19-2 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)C5=CC=CS5)C6=CC=C(C=C6)F |
Product Overview
AC1N7VG1 (CAS 393783-19-2), with molecular formula C30H25FN6O2S3 and molecular weight 616.1185 g/mol. IUPAC: N-[[4-benzyl-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide.