AC1N5QR0
N-[[4-benzyl-5-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: N-{[4-benzyl-5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide|SR-01000543047-1|F0514-4984|N-((4-benzyl-5-((2-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide|N-[[4-benzyl-5-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C36H34N6O4S |
|---|---|
| Molecular Weight | 646.2362 g/mol |
| LogP | 5.7436 |
| Topological Polar Surface Area | 110.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 646.2362 |
| Monoisotopic Mass | 646.2362 |
| Heavy Atoms | 47 |
| Complexity | 1844.6917 |
Chemical Identifiers
| CAS Number | 393783-29-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)C5=CC=CC=C5)C6=CC=C(C=C6)OC |
Product Overview
AC1N5QR0 (CAS 393783-29-4), with molecular formula C36H34N6O4S and molecular weight 646.2362 g/mol. IUPAC: N-[[4-benzyl-5-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
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