Basic information
- Standard SMILES
CC(C)(CNC(=O)C(=O)N1CCCC1)CNC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)c(F)c1- InChIKey
YTBMJCCIVXMFIF-UHFFFAOYSA-N- Molecular formula
- C32H35ClF4N8O4
- Average molar mass
- 707.1 g/mol
Names & identifiers
- Preferred name
- 4-(4-(1-(4-chlorophenyl)cyclopropylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)-N-(2,2-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)acetamido)propyl)-3-fluorobenzamide
- IUPAC
- 4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[2,2-dimethyl-3-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]propyl]-3-fluorobenzamide
Names & synonyms
4-(4-(1-(4-chlorophenyl)cyclopropylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)-N-(2,2-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)acetamido)propyl)-3-fluorobenzamideSCHEMBL15153998
Database identifiers
- PubChem CID
- 86691685
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
1 records
Compound notes
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