Basic information
- Standard SMILES
COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)[nH]1)C1CCOCC1- InChIKey
MDYKRFSANIPHNC-UHFFFAOYSA-N- Molecular formula
- C32H41BN4O6
- Average molar mass
- 588.5 g/mol
Names & identifiers
- Preferred name
- [2-Oxo-1-(tetrahydro-pyran-4-yl)-2-(2-{5-[6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-naphthalen-2-yl]-1H-imidazol-2-yl}-pyrrolidin-1-yl)-ethyl]-carbamic acid methyl ester
- IUPAC
- methyl N-[1-(oxan-4-yl)-2-oxo-2-[2-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]carbamate
Names & synonyms
SCHEMBL6126412MDYKRFSANIPHNC-UHFFFAOYSA-N[2-Oxo-1-(tetrahydro-pyran-4-yl)-2-(2-{5-[6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-naphthalen-2-yl]-1H-imidazol-2-yl}-pyrrolidin-1-yl)-ethyl]-carbamic acid methyl ester
Database identifiers
- PubChem CID
- 69675202
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 992
Related reactions
2 records
Compound notes
Loading…