Basic information
- Standard SMILES
Oc1ccc(C2=Cc3cc4c(cc3OC2)OCN(Cc2ccccc2)C4)cc1- InChIKey
DXUCNJYCUSIBPD-UHFFFAOYSA-N- Molecular formula
- C24H21NO3
- Average molar mass
- 371.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-Benzyl-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)phenol
- IUPAC
- 4-(3-benzyl-4,8-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-7-yl)phenol
Names & synonyms
SCHEMBL1199759CHEMBL3633756DXUCNJYCUSIBPD-UHFFFAOYSA-N4-(3-Benzyl-2,3,4,8-tetrahydrochromeno[6,7-e][1,3]oxazin-7-yl)phenol
Database identifiers
- PubChem CID
- 25006474
- ChEMBL
CHEMBL3633756
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 550
Related reactions
1 records
Compound notes
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