Basic information
- Standard SMILES
CCOC(=O)[C@@H](Cc1ccc2c(c1)CCCC2)NC(=O)N1CCC(n2nc(-c3ccccc3)[nH]c2=O)CC1- InChIKey
YJFAPKGIWDALOD-RUZDIDTESA-N- Molecular formula
- C29H35N5O4
- Average molar mass
- 517.6 g/mol
Names & identifiers
- Preferred name
- ethyl (R)-2-{[4-(5-oxo-3-phenyl-4,5-dihydro-[1,2,4]triazol-1-yl)-piperidine-1-carbonyl]-amino}-3-(5,6,7,8-tetrahydro-naphthalen-2-yl)-propionate
- IUPAC
- ethyl (2R)-2-[[4-(5-oxo-3-phenyl-4H-1,2,4-triazol-1-yl)piperidine-1-carbonyl]amino]-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate
Names & synonyms
SCHEMBL6266434YJFAPKGIWDALOD-RUZDIDTESA-Nethyl (R)-2-{[4-(5-oxo-3-phenyl-4,5-dihydro-[1,2,4]triazol-1-yl)-piperidine-1-carbonyl]-amino}-3-(5,6,7,8-tetrahydro-naphthalen-2-yl)-propionate
Database identifiers
- PubChem CID
- 136388296
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 880
Related reactions
1 records
Compound notes
Loading…