AC1MQQOD
1-[[2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-ethylthiourea
Also Known As: 2-({[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-ethylhydrazinecarbothioamide|1-[[2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-ethyl-thiourea|1-[[2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-ethylthiourea|2-(2-((5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)acetyl)-N-ethylhydrazinecarbothioamide|2-[5-(4-chlorophenyl)-4-cyclohexyl(1,2,4-triazol-3-ylthio)]-N-{[(ethylamino)th ioxomethyl]amino}acetamide
| Molecular Formula | C19H25ClN6OS2 |
|---|---|
| Molecular Weight | 452.12198 g/mol |
| LogP | 3.711 |
| Topological Polar Surface Area | 83.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.12198 |
| Monoisotopic Mass | 452.12198 |
| Heavy Atoms | 29 |
| Complexity | 835.725 |
Chemical Identifiers
| CAS Number | 488095-47-2 |
|---|---|
| SMILES | CCNC(=S)NNC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)Cl |
Product Overview
AC1MQQOD (CAS 488095-47-2), with molecular formula C19H25ClN6OS2 and molecular weight 452.12198 g/mol. IUPAC: 1-[[2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-ethylthiourea.
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