AC1M0YS7
methyl 2-[[4-methyl-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0114|methyl 2-[[4-methyl-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate|methyl 2-((4-methyl-5-((4-(pyrrolidin-1-ylsulfonyl)benzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate|methyl 2-{[4-methyl-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C18H23N5O5S2 |
|---|---|
| Molecular Weight | 453.11407 g/mol |
| LogP | 0.7947 |
| Topological Polar Surface Area | 123.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.11407 |
| Monoisotopic Mass | 453.11407 |
| Heavy Atoms | 30 |
| Complexity | 1014.08813 |
Chemical Identifiers
| CAS Number | 689752-11-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3 |
Product Overview
AC1M0YS7 (CAS 689752-11-2), with molecular formula C18H23N5O5S2 and molecular weight 453.11407 g/mol. IUPAC: methyl 2-[[4-methyl-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
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