Tert-butyl 4-[2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl]piperazine-1-carboxylate
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Basic information
- Standard SMILES
Cc1ccc2c(=O)n(C(C)CN3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1- InChIKey
YTADUJSOIVCVSL-UHFFFAOYSA-N- Molecular formula
- C31H36F4N4O4
- Average molar mass
- 604.6 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl]piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL306088
Database identifiers
- PubChem CID
- 66648917
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
2 records
Compound notes
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