Basic information
- Standard SMILES
CCC1(c2cccc(Oc3cc(Cn4c(CCNC(=O)OC(C)(C)C)cnc4C)ccc3C#N)c2)CCCCN(C)C1=O- InChIKey
YHMDDFLZGQYBNK-UHFFFAOYSA-N- Molecular formula
- C34H43N5O4
- Average molar mass
- 585.7 g/mol
Names & identifiers
- Preferred name
- [2-(3-{4-cyano-3-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-benzyl}-2-methyl-3H-imidazol-4-yl)-ethyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-[3-[[4-cyano-3-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]phenyl]methyl]-2-methylimidazol-4-yl]ethyl]carbamate
Names & synonyms
SCHEMBL7193611YHMDDFLZGQYBNK-UHFFFAOYSA-N[2-(3-{4-cyano-3-[3-(3-ethyl 1 methyl 2 oxo azepan 3-yl)-phenoxy]-benzyl}-2-methyl-3H-imidazol-4-yl)-ethyl]-carbamic acid tert-butyl ester[2-(3-{4-cyano-3-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)-phenoxy]-benzyl}-2-methyl-3H-imidazol-4-yl)-ethyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 54508564
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 991
Related reactions
2 records
Compound notes
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