Basic information
- Standard SMILES
CC(C)C1CCC(N2CC(NC(=O)CNc3nn(Cc4ccccc4)c4ccc(C(F)(F)F)cc34)C2)CC1- InChIKey
VKVGWRCAUQNCIB-UHFFFAOYSA-N- Molecular formula
- C29H36F3N5O
- Average molar mass
- 527.6 g/mol
Names & identifiers
- Preferred name
- 2-(1-Benzyl-5-trifluoromethyl-1H-indazol-3-ylamino)-N-[1-(4-isopropyl-cyclohexyl)-azetidin-3-yl]-acetamide
- IUPAC
- 2-[[1-benzyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide
Names & synonyms
2-(1-Benzyl-5-trifluoromethyl-1H-indazol-3-ylamino)-N-[1-(4-isopropyl-cyclohexyl)-azetidin-3-yl]-acetamideSCHEMBL2634530SCHEMBL12050698VKVGWRCAUQNCIB-PEPAQOBHSA-N
Database identifiers
- PubChem CID
- 58548837
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 775
Related reactions
2 records
Compound notes
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