AC1MML6K
ethyl 2-[[4-methyl-5-[[(4-piperidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0111|ethyl 2-((4-methyl-5-((4-(piperidin-1-ylsulfonyl)benzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate|ethyl 2-{[4-methyl-5-({[4-(piperidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate|ethyl 2-[[4-methyl-5-[[(4-piperidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate|ethyl {[4-methyl-5-({[4-(piperidin-1-ylsulfonyl)benzoyl]amino}methyl)-4H-1,2,4-triazol-3-yl]thio}acetate
| Molecular Formula | C20H27N5O5S2 |
|---|---|
| Molecular Weight | 481.14536 g/mol |
| LogP | 1.5749 |
| Topological Polar Surface Area | 123.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.14536 |
| Monoisotopic Mass | 481.14536 |
| Heavy Atoms | 32 |
| Complexity | 1046.8328 |
Chemical Identifiers
| CAS Number | 689751-94-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 |
Product Overview
AC1MML6K (CAS 689751-94-8), with molecular formula C20H27N5O5S2 and molecular weight 481.14536 g/mol. IUPAC: ethyl 2-[[4-methyl-5-[[(4-piperidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
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