Basic information
- Standard SMILES
OC(c1ccc2c(c1)N(Cc1ccccc1)CC1(CC1)O2)c1cc(Br)ccc1Cl- InChIKey
TZMQAULWXKMJAB-UHFFFAOYSA-N- Molecular formula
- C24H21BrClNO2
- Average molar mass
- 470.8 g/mol
Names & identifiers
- Preferred name
- (4-benzylspiro[3H-1,4-benzoxazine-2,1-cyclopropane]-6-yl)-(5-bromo-2-chloro-phenyl)methanol
- IUPAC
- (4-benzylspiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-6-yl)-(5-bromo-2-chlorophenyl)methanol
Names & synonyms
SCHEMBL1670598TZMQAULWXKMJAB-UHFFFAOYSA-N(4-benzylspiro[3H-1,4-benzoxazine-2,1'-cyclopropane]-6-yl)-(5-bromo-2-chloro-phenyl)methanol(4-benzylspiro[3H-1,4-benzoxazine-2,1-cyclopropane]-6-yl)-(5-bromo-2-chloro-phenyl)methanol
Database identifiers
- PubChem CID
- 58340780
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 567
Related reactions
7 records
Compound notes
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