Diethyl 3,3'-[(1,3-dioxopropane-1,3-diyl)diimino]bis(5-chloropyridine-2-carboxylate)
Basic information
- CAS
27330-37-6- Standard SMILES
CCOC(=O)c1ncc(Cl)cc1NC(=O)CC(=O)Nc1cc(Cl)cnc1C(=O)OCC- InChIKey
IHLCOULFDFFVLT-UHFFFAOYSA-N- Molecular formula
- C19H18Cl2N4O6
- Average molar mass
- 469.3 g/mol
- Monoisotopic mass
- 468.0603397
Names & identifiers
- Preferred name
- Diethyl 3,3'-[(1,3-dioxopropane-1,3-diyl)diimino]bis(5-chloropyridine-2-carboxylate)
- IUPAC
- ethyl 5-chloro-3-[[3-[(5-chloro-2-ethoxycarbonyl-3-pyridinyl)amino]-3-oxopropanoyl]amino]pyridine-2-carboxylate
Names & synonyms
27330-37-6NSC151937diethyl 3,3'-[(1,3-dioxopropane-1,3-diyl)diimino]bis(5-chloropyridine-2-carboxylate)DTXSID40302575NSC-1519372-Pyridinecarboxylic acid, 3,3'-[(1,3-dioxo-1,3-propanediyl)bis(imino)]bis[5-chloro-, diethyl esterDiethyl 3,3'-[(1,3-dioxopropane-1,3-diyl)bis(azanediyl)]bis(5-chloropyridine-2-carboxylate)ethyl 5-chloro-3-[[3-[(5-chloro-2-ethoxycarbonyl-3-pyridyl)amino]-3-oxo-propanoyl]amino]pyridine-2-carboxylate
Database identifiers
- CAS
27330-37-6- PubChem CID
- 289728
- DTXSID
DTXSID40302575
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 613
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Compound notes
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