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Basic information
- Standard SMILES
CC(C)C1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CCC(NC2CCC(O)(c3ncccn3)CC2)C1- InChIKey
GKUAJKQDNGOSAL-UHFFFAOYSA-N- Molecular formula
- C29H37F3N4O2
- Average molar mass
- 530.6 g/mol
- Monoisotopic mass
- 530.28686092
Names & identifiers
- Preferred name
- [3-[(4-hydroxy-4-pyrimidin-2-ylcyclohexyl)amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
- IUPAC
- [3-[(4-hydroxy-4-pyrimidin-2-ylcyclohexyl)amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Names & synonyms
GKUAJKQDNGOSAL-UHFFFAOYSA-NOCID190051848728
Database identifiers
- PubChem CID
- 72987134
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 825
Related reactions
1 records
Compound notes
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