Basic information
- Standard SMILES
CCCCN1CCCc2ccc(C(=O)N[C@@H](Cc3cc(F)cc(F)c3)[C@H](O)CNCc3cccc(CC)c3)cc21- InChIKey
BNIRZFPUCMGMOY-XDFJSJKPSA-N- Molecular formula
- C33H41F2N3O2
- Average molar mass
- 549.7 g/mol
Names & identifiers
- Preferred name
- 1-butyl-N-{(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-1,2,3,4-tetrahydroquinoline-7-carboxamide
- IUPAC
- 1-butyl-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-3,4-dihydro-2H-quinoline-7-carboxamide
Names & synonyms
SCHEMBL3351206BNIRZFPUCMGMOY-XDFJSJKPSA-N1-butyl-N-{(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-1,2,3,4-tetrahydroquinoline-7-carboxamide
Database identifiers
- PubChem CID
- 57512110
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 747
Related reactions
2 records
Compound notes
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