Basic information
- Standard SMILES
CC(C)n1nccc1-c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F- InChIKey
WUTUFPNWYUNDFI-UHFFFAOYSA-N- Molecular formula
- C16H16F3N5O4S
- Average molar mass
- 431.4 g/mol
Names & identifiers
- Preferred name
- N-[6-(2-isopropyl-2H-pyrazol-3-yl)-2,4-dioxo-7-trifluoromethyl-1,4-dihydro-2H-quinazolin-3-yl]-methanesulfonamide
- IUPAC
- N-[2,4-dioxo-6-(2-propan-2-ylpyrazol-3-yl)-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
Names & synonyms
N-[6-(2-isopropyl-2H-pyrazol-3-yl)-2,4-dioxo-7-trifluoromethyl-1,4-dihydro-2H-quinazolin-3-yl]-methanesulfonamideSCHEMBL1660573n-[7-trifluoromethyl-6-(2-isopropyl-2h-pyrazol-3-yl)-2,4-dioxo-1,4-dihydro-2h-quinazolin-3-yl]-methanesulfonamide
Database identifiers
- PubChem CID
- 52932007
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 769
Related reactions
3 records
Compound notes
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