Basic information
- Standard SMILES
COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCNC(=O)Cc4ccccc4F)cc3)cc21- InChIKey
ICVSAHBSYZRWHO-UHFFFAOYSA-N- Molecular formula
- C42H48FN3O7
- Average molar mass
- 725.8 g/mol
- Monoisotopic mass
- 725.34762904
Names & identifiers
- Preferred name
- benzyl 4-(4-{2-[2-(2-fluorophenyl)acetylamino]ethoxy}phenyl)-3-[4-(3-methoxypropyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate
- IUPAC
- benzyl 4-[4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethoxy]phenyl]-3-[[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methoxy]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3061927ICVSAHBSYZRWHO-UHFFFAOYSA-Nbenzyl 4-(4-{2-[2-(2-fluorophenyl)acetylamino]ethoxy}phenyl)-3-[4-(3-methoxypropyl)-3,4-dihydro-2H-benz[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylatebenzyl 4-(4-{2-[2-(2-fluorophenyl)acetylamino]ethoxy}phenyl)-3-[4-(3-methoxypropyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 68498024
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
6 records
Compound notes
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