Basic information
- Standard SMILES
CCOC(=O)/C=C/c1cnc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)nc1- InChIKey
DLBVBPZUGOYPNE-DHZHZOJOSA-N- Molecular formula
- C32H34N2O3
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.25694295
Names & identifiers
- Preferred name
- ethyl(E)-3-[2-(3-(1-adamantyl)-4-benzyloxyphenyl)-5-pyrimidinyl]-2-propenoate
- IUPAC
- ethyl (E)-3-[2-[3-(1-adamantyl)-4-phenylmethoxyphenyl]pyrimidin-5-yl]prop-2-enoate
Names & synonyms
SCHEMBL1914437DLBVBPZUGOYPNE-DHZHZOJOSA-Nethyl(E)-3-[2-(3-(1-adamantyl)-4-benzyloxyphenyl)-5-pyrimidinyl]-2-propenoate
Database identifiers
- PubChem CID
- 53258792
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 757
Related reactions
1 records
Compound notes
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