Basic information
- CAS
674782-29-7- Standard SMILES
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2CCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1- InChIKey
GSNHKUDZZFZSJB-JVOXHRMMSA-N- Molecular formula
- C29H41F2N5O
- Average molar mass
- 513.7 g/mol
- Monoisotopic mass
- 513.32791727
Names & identifiers
- Preferred name
- 4,4-difluoro-N-[3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
- IUPAC
- 4,4-difluoro-N-[3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
- English name
- 4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazo l-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl]cyclohexane-1-car boxamide
- Molecular formula
- C29H41F2N5O
- Molecular weight
- 513.6655464
Names & synonyms
SCHEMBL20451355MvcUk 427857SelzentryUk-427,857Unii-md6p741W8a4,4-difluoro-N-[(1S)-3-[(1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazo l-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-propyl]cyclohexane-1-car boxamideCyclohexanecarboxamide, 4,4-difluoro-N-((1S)-3-((3-exo)-3-(3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl)-8-azabicyclo(3.2.1)oct-8-yl)-1-phenylpropyl)-
Database identifiers
- CAS
674782-29-7- PubChem CID
- 135285689
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 751
Physicochemical properties
- NCI Drug Dictionary
- Selzentry
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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