AC1NH6RA
3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
Also Known As: 3-[[[4-Cyclohexyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4(3H)-one|3-[({4-Cyclohexyl-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,2,3-benzotriazin-4(3H)-one|3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
| Molecular Formula | C21H22N6OS2 |
|---|---|
| Molecular Weight | 438.12964 g/mol |
| LogP | 4.2903 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.12964 |
| Monoisotopic Mass | 438.12964 |
| Heavy Atoms | 30 |
| Complexity | 1193.9113 |
Chemical Identifiers
| CAS Number | 852932-32-2 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4N=N3)CC5=CC=CS5 |
Product Overview
AC1NH6RA (CAS 852932-32-2), with molecular formula C21H22N6OS2 and molecular weight 438.12964 g/mol. IUPAC: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one.
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