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Basic information
- Standard SMILES
COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(O)(c3ccc(F)nc3)C(C)(C)O4)CC2)cc1- InChIKey
VSDVBGUZFFYFHW-UHFFFAOYSA-N- Molecular formula
- C29H34FN3O3
- Average molar mass
- 491.6 g/mol
- Monoisotopic mass
- 491.25842012
Names & identifiers
- Preferred name
- 3-(6-Fluoropyridine-3-yl)-5-(4-(4-methoxyphenyl)piperazin-1-yl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-3-ol
- IUPAC
- 3-(6-fluoro-3-pyridinyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-1-benzofuran-3-ol
Names & synonyms
SCHEMBL5348184VSDVBGUZFFYFHW-UHFFFAOYSA-N3-(6-fluoropyridine-3-yl)-5-(4-(4-methoxyphenyl)piperazin-1-yl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-3-ol
Database identifiers
- PubChem CID
- 58847331
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 754
Related reactions
2 records
Compound notes
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