Basic information
- CAS
5143-59-9- Standard SMILES
CCOP(=O)(OCC)/C(=C(\NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cn1)c1ccccc1- InChIKey
JFBDDEOVQJPEFS-FCQUAONHSA-N- Molecular formula
- C25H25ClN3O5P
- Average molar mass
- 513.9 g/mol
- Monoisotopic mass
- 513.1220356
Names & identifiers
- Preferred name
- AC1MD34C
- IUPAC
- N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-1-diethoxyphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
Names & synonyms
AC1MD34CDTXSID403852675143-59-9RefChem:313996DTXCID00336290JFBDDEOVQJPEFS-FCQUAONHSA-NSMSF0003751AKOS016359091CB13940Diethyl 2-[2-benzamido-2-(5-chloro-2-pyridylcarbamoyl)-1-phenyl]vinylphosphonateST004990BIM-0010960.P001
Show more names
(2Z)-3-(diethoxycarbonyl)-N-(5-chloro(2-pyridyl))-3-phenyl-2-(phenylcarbonylam ino)prop-2-enamideDiethyl (1Z)-2-(benzoylamino)-3-[(5-chloro-2-pyridinyl)amino]-3-oxo-1-phenyl-1-propenylphosphonate #Diethyl {(1Z)-2-benzamido-3-[(5-chloropyridin-2-yl)amino]-3-oxo-1-phenylprop-1-en-1-yl}phosphonatediethyl {2-(benzoylamino)-3-[(5-chloro-2-pyridinyl)amino]-3-oxo-1-phenyl-1-propen-1-yl}phosphonate
Database identifiers
- CAS
5143-59-9- PubChem CID
- 2830133
- DTXSID
DTXSID40385267
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 786
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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