6-(diphenylmethyl)-8-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2,3,6,8-tetrahydro-7H-[1,4]dioxino[2,3-f]indol-7-one
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Basic information
- Standard SMILES
O=C1C(c2cc3c(cc2O)OCC3)c2cc3c(cc2N1C(c1ccccc1)c1ccccc1)OCCO3- InChIKey
PYGZCYMJKYTWRR-UHFFFAOYSA-N- Molecular formula
- C31H25NO5
- Average molar mass
- 491.5 g/mol
- Monoisotopic mass
- 491.1732729
Names & identifiers
- Preferred name
- 6-(diphenylmethyl)-8-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2,3,6,8-tetrahydro-7H-[1,4]dioxino[2,3-f]indol-7-one
- IUPAC
- 6-benzhydryl-8-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-one
Names & synonyms
SCHEMBL3330531PYGZCYMJKYTWRR-UHFFFAOYSA-N6-(diphenylmethyl)-8-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-2,3,6,8-tetrahydro-7H-[1,4]dioxino[2,3-f]indol-7-one
Database identifiers
- PubChem CID
- 68599151
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 791
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Related reactions
7 records
Compound notes
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