Basic information
- Standard SMILES
COC1(c2ccc(C(F)(F)F)cc2CNc2nnn(C)n2)CCCCCC1- InChIKey
BUHBCCZQGJJKMH-UHFFFAOYSA-N- Molecular formula
- C18H24F3N5O
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.19329489
Names & identifiers
- Preferred name
- N-(2-(1-methoxycycloheptyl)-5-(trifluoromethyl)benzyl)-2-methyl-2H-tetrazol-5-amine
- IUPAC
- N-[[2-(1-methoxycycloheptyl)-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
Names & synonyms
N-(2-(1-methoxycycloheptyl)-5-(trifluoromethyl)benzyl)-2-methyl-2H-tetrazol-5-amineSCHEMBL1601283
Database identifiers
- PubChem CID
- 58968736
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 470
Related reactions
2 records
Compound notes
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