Basic information
- Standard SMILES
COc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1ccn(COP(=O)(OC(C)(C)C)OC(C)(C)C)c(=O)c1- InChIKey
QHAAHFKXCKZESI-UHFFFAOYSA-N- Molecular formula
- C28H32Cl2FN2O8P
- Average molar mass
- 645.4 g/mol
Names & identifiers
- Preferred name
- Di-tert-butyl [4-[[4,5-dichloro-2-(4-fluoro-2-methoxy-phenoxy)benzoyl]amino]-2-oxo-1-pyridyl]methyl phosphate
- IUPAC
- ditert-butyl [4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1-pyridinyl]methyl phosphate
Names & synonyms
SCHEMBL16804626SCHEMBL30574512QHAAHFKXCKZESI-UHFFFAOYSA-NDi-tert-butyl [4-[[4,5-dichloro-2-(4-fluoro-2-methoxy-phenoxy)benzoyl]amino]-2-oxo-1-pyridyl]methyl phosphate
Database identifiers
- PubChem CID
- 118148564
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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