AC1M0DNI
methyl 4-[[2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: VU0492130-1|F2715-0292|methyl 4-[[2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate|methyl 4-(2-((4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 4-(2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|methyl 4-[({[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 4-{2-[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-ylthio]acetylamin o}benzoate
| Molecular Formula | C20H21N5O5S |
|---|---|
| Molecular Weight | 443.12634 g/mol |
| LogP | 2.1935 |
| Topological Polar Surface Area | 130.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.12634 |
| Monoisotopic Mass | 443.12634 |
| Heavy Atoms | 31 |
| Complexity | 1084.0647 |
Chemical Identifiers
| CAS Number | 577997-37-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)OC |
Product Overview
AC1M0DNI (CAS 577997-37-6), with molecular formula C20H21N5O5S and molecular weight 443.12634 g/mol. IUPAC: methyl 4-[[2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
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