(2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol
Basic information
- Standard SMILES
OC(COc1cccc2ncccc12)CN1CCN(C2c3ccccc3C3C(c4ccccc42)C3(F)F)CC1- InChIKey
IHOVFYSQUDPMCN-UHFFFAOYSA-N- Molecular formula
- C32H31F2N3O2
- Average molar mass
- 527.6 g/mol
- Monoisotopic mass
- 527.23843356
Overview
See also: Zosuquidar Trihydrochloride (annotation moved to).
Names & identifiers
- Preferred name
- (2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol
- IUPAC
- 1-[4-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)piperazin-1-yl]-3-quinolin-5-yloxypropan-2-ol
Names & synonyms
(2R)-1-{4-[(1aR,6r,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-olLy335979CHEMBL80117DTXSID20861438C32H31F2N3O2MFCD09837761SB19532AS-764141-[4-(1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl)piperazin-1-yl]-3-[(quinolin-5-yl)oxy]propan-2-ol1-[4-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)piperazin-1-yl]-3-(5-quinolyloxy)propan-2-ol1-[4-(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl)piperazin-1-yl]-3-quinolin-5-yloxypropan-2-ol
Database identifiers
- PubChem CID
- 406793
- DTXSID
DTXSID20861438- ChEMBL
CHEMBL80117
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 806
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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