Basic information
- Standard SMILES
CCOC(=O)c1cncc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC)C2)c1- InChIKey
IJTASOVDEAJOHJ-JKSUJKDBSA-N- Molecular formula
- C20H26ClN5O4
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 435.167332
Names & identifiers
- Preferred name
- Ethyl cis(+/-)-5-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl)pyridine-3-carboxylate
- IUPAC
- ethyl 5-[(3R,4S)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]pyridine-3-carboxylate
Names & synonyms
IJTASOVDEAJOHJ-JKSUJKDBSA-NEthyl cis(+/-)-5-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl)pyridine-3-carboxylate
Database identifiers
- PubChem CID
- 86648703
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 598
Related reactions
2 records
Compound notes
Loading…