3-Chloro-4-[methyl[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy]propyl]amino]benzenemethanol
Basic information
- CAS
894796-88-4- Standard SMILES
CCCc1c(OCCCN(C)c2ccc(CO)cc2Cl)ccc2c(C(F)(F)F)noc12- InChIKey
XSYBJNGMVWTRFA-UHFFFAOYSA-N- Molecular formula
- C22H24ClF3N2O3
- Average molar mass
- 456.9 g/mol
- Monoisotopic mass
- 456.1427548
Names & identifiers
- Preferred name
- 3-Chloro-4-[methyl[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy]propyl]amino]benzenemethanol
- IUPAC
- [3-chloro-4-[methyl-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]amino]phenyl]methanol
Names & synonyms
DTXSID2011103153-Chloro-4-[methyl[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy]propyl]amino]benzenemethanol894796-88-4
Database identifiers
- CAS
894796-88-4- PubChem CID
- 165367609
- DTXSID
DTXSID201110315
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 557
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Related reactions
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Compound notes
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