AC1L5YXS
methyl 4-[[3-[[4-amino-6-(ethoxycarbonylamino)-3-nitro-2-pyridinyl]amino]-2-hydroxyiminopropyl]-methylamino]benzoate
Also Known As: methyl 4-[[(2E)-3-[[4-amino-6-(ethoxycarbonylamino)-3-nitrop|methyl 4-[[3-[[4-amino-6-(ethoxycarbonylamino)-3-nitropyridin-2-yl]amino]-2-hydroxyiminopropyl]-methylamino]benzoate|methyl 4-{[3-({4-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-2-yl}amino)-2-(hydroxyimino)propyl](methyl)amino}benzoate
| Molecular Formula | C20H25N7O7 |
|---|---|
| Molecular Weight | 475.18155 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 475.18155 |
| Monoisotopic Mass | 475.18155 |
| Heavy Atoms | 34 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 30768-48-0 |
|---|---|
| SMILES | CCOC(=O)NC1=NC(=C(C(=C1)N)[N+](=O)[O-])NCC(=NO)CN(C)C2=CC=C(C=C2)C(=O)OC |
| InChIKey | POYPTSVKFJCZDF-UHFFFAOYSA-N |
Product Overview
AC1L5YXS (CAS 30768-48-0), with molecular formula C20H25N7O7 and molecular weight 475.18155 g/mol. IUPAC: methyl 4-[[3-[[4-amino-6-(ethoxycarbonylamino)-3-nitro-2-pyridinyl]amino]-2-hydroxyiminopropyl]-methylamino]benzoate.
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