N-(4-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-1,3,2lambda5-diazaphosphinan-2-amine
Basic information
- CAS
1061-49-0- Standard SMILES
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)P2(=O)Nc2ccc(Cl)cc2)cc1- InChIKey
QTTOQOJERHIQML-UHFFFAOYSA-N- Molecular formula
- C25H29ClN3O3P
- Average molar mass
- 485.9 g/mol
- Monoisotopic mass
- 485.1635065
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-1,3,2lambda5-diazaphosphinan-2-amine
- IUPAC
- N-(4-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-1,3,2λ5-diazaphosphinan-2-amine
Names & synonyms
NSC608431061-49-0DTXSID20328859NSC-608432-(4-Chloroanilino)-1,3-bis[(4-methoxyphenyl)methyl]-1,3,2lambda~5~-diazaphosphinan-2-one
Database identifiers
- CAS
1061-49-0- PubChem CID
- 414548
- DTXSID
DTXSID20328859
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 594
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Compound notes
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