[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
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Basic information
- Standard SMILES
O=C(c1ccc(-c2ccc3c(c2)OCCO3)cc1)N1CCCC1CN1CCCC1- InChIKey
ZOHUOSVXRFDECX-UHFFFAOYSA-N- Molecular formula
- C24H28N2O3
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.20999276
Names & identifiers
- Preferred name
- [4-(2,3-Dihydro-1,4-benzodioxin-6-yl)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
- IUPAC
- [4-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
Names & synonyms
SCHEMBL2346252
Database identifiers
- PubChem CID
- 11625332
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 556
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Related reactions
1 records
Compound notes
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