AC1NR2IX
1-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 4-Methoxy-thiobenzoesaeure-S-methylester|1-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone|1-[4-(2-Chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C30H29ClN6O5S |
|---|---|
| Molecular Weight | 620.1609 g/mol |
| LogP | 5.27812 |
| Topological Polar Surface Area | 123.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 620.1609 |
| Monoisotopic Mass | 620.1609 |
| Heavy Atoms | 43 |
| Complexity | 1660.7645 |
Chemical Identifiers
| CAS Number | 5925-72-4 |
|---|---|
| SMILES | CC1CN(CCN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=C(C=C5)C |
Product Overview
AC1NR2IX (CAS 5925-72-4), with molecular formula C30H29ClN6O5S and molecular weight 620.1609 g/mol. IUPAC: 1-[4-(2-chloro-4-nitrobenzoyl)-3-methylpiperazin-1-yl]-2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
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