Basic information
- Standard SMILES
CCOP(=O)(OCC)Oc1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2n1- InChIKey
PVMFLDYYNNCCCC-UHFFFAOYSA-N- Molecular formula
- C27H34Cl2N3O5P
- Average molar mass
- 582.5 g/mol
- Monoisotopic mass
- 581.1613136
Names & identifiers
- Preferred name
- 7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2-yl diethyl phosphate
- IUPAC
- [7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinolin-2-yl] diethyl phosphate
Names & synonyms
SCHEMBL9979237PVMFLDYYNNCCCC-UHFFFAOYSA-N7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2-yl diethyl phosphate
Database identifiers
- PubChem CID
- 57501581
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 738
Related reactions
2 records
Compound notes
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