2-Propen-1-yl (5-(6-isoquinolinyl)-3-isoxazolyl)((2S)-2-methyl-3-(4-(trifluoromethyl)phenyl)propyl)carbamate

HCID 57950548
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Basic information

Standard SMILES
C=CCOC(=O)N(C[C@@H](C)Cc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc3cnccc3c2)on1
InChIKey
WMDWABWDVQWXHS-SFHVURJKSA-N
Molecular formula
C27H24F3N3O3
Average molar mass
495.5 g/mol
Monoisotopic mass
495.17697612

Names & identifiers

Preferred name
2-Propen-1-yl (5-(6-isoquinolinyl)-3-isoxazolyl)((2S)-2-methyl-3-(4-(trifluoromethyl)phenyl)propyl)carbamate
IUPAC
prop-2-enyl N-(5-isoquinolin-6-yl-1,2-oxazol-3-yl)-N-[(2S)-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl]carbamate

Names & synonyms

2-Propen-1-yl (5-(6-isoquinolinyl)-3-isoxazolyl)((2S)-2-methyl-3-(4-(trifluoromethyl)phenyl)propyl)carbamateSCHEMBL1519624

Database identifiers

PubChem CID
57950548

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
68.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
36

Related reactions

1 records
New reaction record

Compound notes

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2-Propen-1-yl (5-(6-isoquinolinyl)-3-isoxazolyl)((2S)-2-methyl-3-(4-(trifluoromethyl)phenyl)propyl)carbamate (HCID 57950548)｜Huagongshe