Basic information
- CAS
1178-74-1- Standard SMILES
COc1ccc(NP2(=O)N(Cc3ccc(Cl)cc3)CCCN2Cc2ccc(Cl)cc2)cc1- InChIKey
VCWAJTCDKWGNAG-UHFFFAOYSA-N- Molecular formula
- C24H26Cl2N3O2P
- Average molar mass
- 490.4 g/mol
- Monoisotopic mass
- 489.1139695
Names & identifiers
- Preferred name
- 1,3-bis[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxo-1,3,2lambda5-diazaphosphinan-2-amine
- IUPAC
- 1,3-bis[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-amine
Names & synonyms
NSC676441178-74-1DTXSID20328910NSC-676441,3-Bis[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)-1,3,2lambda~5~-diazaphosphinan-2-one
Database identifiers
- CAS
1178-74-1- PubChem CID
- 415200
- DTXSID
DTXSID20328910
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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