Basic information
- Standard SMILES
CCOP(=O)(OCC)C(CC(C(=O)Nc1ccccn1)C(=O)c1ccccc1)P(=O)(OCC)OCC- InChIKey
MYNTZCIACMFBHS-UHFFFAOYSA-N- Molecular formula
- C24H34N2O8P2
- Average molar mass
- 540.5 g/mol
Names & identifiers
- Preferred name
- [3-(2-Pyridinylamino-carbonyl)-4-oxo-4-phenyl-butylidene]bisphosphonic acid tetraethyl ester
- IUPAC
- 2-benzoyl-4,4-bis(diethoxyphosphoryl)-N-pyridin-2-ylbutanamide
Names & synonyms
SCHEMBL8831976MYNTZCIACMFBHS-UHFFFAOYSA-N[3-(2-Pyridinylamino-carbonyl)-4-oxo-4-phenyl-butylidene]bisphosphonic acid tetraethyl ester
Database identifiers
- PubChem CID
- 54098047
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 740
Related reactions
2 records
Compound notes
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