AC1N4GIJ
N-[[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
Also Known As: F0507-1923|N-((5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)methyl)-3-methylbenzamide|N-{[5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide|N-[[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
| Molecular Formula | C27H27N5O3S |
|---|---|
| Molecular Weight | 501.18347 g/mol |
| LogP | 4.55354 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.18347 |
| Monoisotopic Mass | 501.18347 |
| Heavy Atoms | 36 |
| Complexity | 1368.0991 |
Chemical Identifiers
| CAS Number | 391916-86-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NN=C(N2C3=CC=CC(=C3)C)SCC(=O)NC4=CC=C(C=C4)OC |
Product Overview
AC1N4GIJ (CAS 391916-86-2), with molecular formula C27H27N5O3S and molecular weight 501.18347 g/mol. IUPAC: N-[[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide.
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