Basic information
- Standard SMILES
CNC(=O)NC(=O)C(CC1CCCC1)c1ccc(-n2nnnc2C)c(C(F)(F)F)c1- InChIKey
OOQBPGSJGVKPHP-UHFFFAOYSA-N- Molecular formula
- C19H23F3N6O2
- Average molar mass
- 424.4 g/mol
Names & identifiers
- Preferred name
- 1-{3-Cyclopentyl-2-[4-(5-methyl-tetrazol-1-yl)-3-trifluoromethyl-phenyl]-propionyl}-3-methyl-urea
- IUPAC
- 3-cyclopentyl-N-(methylcarbamoyl)-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanamide
Names & synonyms
1-{3-cyclopentyl-2-[4-(5-methyl-tetrazol-1-yl)-3-trifluoromethyl-phenyl]-propionyl}-3-methyl-ureaSCHEMBL61751041-{3-cyclopentyl-2-[4-(5-methyl-tetrazol- 1 -yl)-3-trifluoromethyl-phenyl]-propionyl}-3-methyl-urea
Database identifiers
- PubChem CID
- 10224176
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 614
Related reactions
5 records
Compound notes
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