Basic information
- Standard SMILES
Cc1ccccc1C(O)(Cc1ccnc(NC(=O)OC(C)(C)C)c1)c1ccccc1- InChIKey
RYOJVERLBCFKDN-UHFFFAOYSA-N- Molecular formula
- C25H28N2O3
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.20999276
Names & identifiers
- Preferred name
- [4-(2-Hydroxy-2-phenyl-2-o-tolyl-ethyl)-pyridin-2-yl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-[2-hydroxy-2-(2-methylphenyl)-2-phenylethyl]-2-pyridinyl]carbamate
Names & synonyms
SCHEMBL6127740RYOJVERLBCFKDN-UHFFFAOYSA-N[4-(2-Hydroxy-2-phenyl-2-o-tolyl-ethyl)-pyridin-2-yl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69675871
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 555
Related reactions
2 records
Compound notes
Loading…