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Basic information
- Standard SMILES
COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(N4CCCC4)cc3)cc21- InChIKey
KXTVIPMOYHABSE-UHFFFAOYSA-N- Molecular formula
- C36H45N3O5
- Average molar mass
- 599.8 g/mol
Names & identifiers
- Preferred name
- Benzyl 3-[4-(3-methoxypropyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-4-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxylate
- IUPAC
- benzyl 3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]-4-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL3078527KXTVIPMOYHABSE-UHFFFAOYSA-NBenzyl 3-[4-(3-methoxypropyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]-4-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 68503530
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 857
Related reactions
3 records
Compound notes
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