Basic information
- CAS
388063-46-5- Standard SMILES
CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(I)c2)c1- InChIKey
FSQSHDXWJKXBPP-XZWHSSHBSA-N- Molecular formula
- C32H38F2IN3O3
- Average molar mass
- 677.6 g/mol
- Monoisotopic mass
- 677.1926
Names & identifiers
- Preferred name
- N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-[(3-Iodobenzyl)amino]propyl}-5-Methyl-N,N-Dipropylisophthalamide
- IUPAC
- 1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodophenyl)methylamino]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
Names & synonyms
388063-46-5CHEMBL373533N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-((3-iodobenzyl)amino)butan-2-yl)-5-methyl-N3,N3-dipropylisophthalamideN'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-[(3-Iodobenzyl)amino]propyl}-5-Methyl-N,N-DipropylisophthalamideSCHEMBL3348071BDBM15797DTXSID301382440hydroxyethyl secondary amine (HEA) inhibitor 6bQ27460125(1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-iodobenzylamino)-propyl]-5-methyl -N,N-dipropylisophthalamide1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodophenyl)methylamino]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-iodophenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide
Show more names
F2IN'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamideN1-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-iodophenyl)methylamino]propyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 792
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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