AC1MEEL9
3-(3,4-dimethoxyphenyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: AG-205/36566042|A1156/0054065|SR-01000513715-1|3-(3,4-dimethoxyphenyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole|3-(3,4-dimethoxyphenyl)-5-((4-methoxy-3-nitrobenzyl)thio)-4-phenyl-4H-1,2,4-triazole|3-(3,4-dimethoxyphenyl)-5-({3-nitro-4-methoxybenzyl}sulfanyl)-4-phenyl-4H-1,2,4-triazole|3-(3,4-dimethoxyphenyl)-5-[(4-methoxy-3-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole|3-(3,4-DIMETHOXYPHENYL)-5-{[(4-METHOXY-3-NITROPHENYL)METHYL]SULFANYL}-4-PHENYL-4H-1,2,4-TRIAZOLE
| Molecular Formula | C24H22N4O5S |
|---|---|
| Molecular Weight | 478.1311 g/mol |
| LogP | 5.1606 |
| Topological Polar Surface Area | 101.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.1311 |
| Monoisotopic Mass | 478.1311 |
| Heavy Atoms | 34 |
| Complexity | 1310.2236 |
Chemical Identifiers
| CAS Number | 311331-76-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)[N+](=O)[O-] |
Product Overview
AC1MEEL9 (CAS 311331-76-7), with molecular formula C24H22N4O5S and molecular weight 478.1311 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.