Basic information
- Standard SMILES
CN(CC#Cc1ccc(C(=O)c2ccc(OC3CCCCO3)cc2)cn1)C(=O)OC(C)(C)C- InChIKey
CCBYGRPQSLPCMQ-UHFFFAOYSA-N- Molecular formula
- C26H30N2O5
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.21547206
Names & identifiers
- Preferred name
- tert-butylmethyl(3-(5-(4-(tetrahydro-2H-pyran-2-yloxy)benzoyl)pyridin-2-yl)prop-2-ynyl)carbamate
- IUPAC
- tert-butyl N-methyl-N-[3-[5-[4-(oxan-2-yloxy)benzoyl]-2-pyridinyl]prop-2-ynyl]carbamate
Names & synonyms
SCHEMBL15088674CCBYGRPQSLPCMQ-UHFFFAOYSA-Ntert-butyl methyl(3-(5-(4-(tetrahydro-2H-pyran-2-yloxy)benzoyl)-pyridin-2-yl)prop-2-ynyl)carbamatetert-butylmethyl(3-(5-(4-(tetrahydro-2H-pyran-2-yloxy)benzoyl)pyridin-2-yl)prop-2-ynyl)carbamate
Database identifiers
- PubChem CID
- 89672875
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 726
Related reactions
2 records
Compound notes
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