1-[[4-[Benzyl(methyl)amino]-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]urea
Basic information
- Standard SMILES
CCc1cc(NC(=O)NCC2CN(CCc3ccc(F)cc3)CCC2N(C)Cc2ccccc2)cc(-c2nnnn2C)c1- InChIKey
RISHMLUZTILHCB-UHFFFAOYSA-N- Molecular formula
- C33H41FN8O
- Average molar mass
- 584.7 g/mol
Names & identifiers
- Preferred name
- 1-[[4-[Benzyl(methyl)amino]-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]urea
- IUPAC
- 1-[[4-[benzyl(methyl)amino]-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-3-[3-ethyl-5-(1-methyltetrazol-5-yl)phenyl]urea
Names & synonyms
SCHEMBL6305726
Database identifiers
- PubChem CID
- 69736703
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 838
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Related reactions
1 records
Compound notes
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