Basic information
- Standard SMILES
N#Cc1ccccc1-c1ccc(CNC2(C(=O)OCc3ccccc3)CCCC2)cc1- InChIKey
RTEPCCFWSBSIKU-UHFFFAOYSA-N- Molecular formula
- C27H26N2O2
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.19942808
Names & identifiers
- Preferred name
- N-(1-benzyloxycarbonylcyclopentyl)-N-(2'-cyanobiphenyl-4-ylmethyl)-amine
- IUPAC
- benzyl 1-[[4-(2-cyanophenyl)phenyl]methylamino]cyclopentane-1-carboxylate
Names & synonyms
SCHEMBL3722RTEPCCFWSBSIKU-UHFFFAOYSA-NN-(1-benzyloxycarbonylcyclopentyl)-N-(2'-cyanobiphenyl-4-ylmethyl)-amine
Database identifiers
- PubChem CID
- 20083512
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 618
Related reactions
3 records
Compound notes
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