AC1MT1ER
N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: Oprea1_356142|F0528-0583|N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide|N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide|N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide|N-({4-cyclohexyl-5-[(N-1,3-benzothiazol-2-ylcarbamoyl)methylthio]-4H-1,2,4-triazol-3-yl}methyl)p-anisamide
| Molecular Formula | C26H28N6O3S2 |
|---|---|
| Molecular Weight | 536.16644 g/mol |
| LogP | 5.0624 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.16644 |
| Monoisotopic Mass | 536.16644 |
| Heavy Atoms | 37 |
| Complexity | 1345.7385 |
Chemical Identifiers
| CAS Number | 476448-63-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3CCCCC3)SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
AC1MT1ER (CAS 476448-63-2), with molecular formula C26H28N6O3S2 and molecular weight 536.16644 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
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