Basic information
- Standard SMILES
N#Cc1ccc2c(c1)cc(C(=O)NCC1(O)CCCC1)n2Cc1cccc(OC(F)(F)F)c1- InChIKey
HSGNTWXZLBLALP-UHFFFAOYSA-N- Molecular formula
- C24H22F3N3O3
- Average molar mass
- 457.4 g/mol
- Monoisotopic mass
- 457.16132606
Names & identifiers
- Preferred name
- 5-Cyano-1-(3-trifluoromethoxybenzyl)-1H-indole-2-carboxylic acid (1-hydroxy-cyclopentylmethyl)amide
- IUPAC
- 5-cyano-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
Names & synonyms
5-Cyano-1-(3-trifluoromethoxybenzyl)-1H-indole-2-carboxylic acid (1-hydroxy-cyclopentylmethyl)amideSCHEMBL13422855
Database identifiers
- PubChem CID
- 59205404
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 746
Related reactions
2 records
Compound notes
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