Basic information
- Standard SMILES
O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1cc(Cl)nc(-c2ccccc2)n1- InChIKey
MPCLGHMERMVVAX-JXMROGBWSA-N- Molecular formula
- C25H26ClN5O
- Average molar mass
- 448 g/mol
- Monoisotopic mass
- 447.1825882
Names & identifiers
- Preferred name
- N-(6-Chloro-2-phenylpyrimidin-4-yl)-2-{4-[(2E)-3-phenylprop-2-enyl]piperazin-1-yl}acetamide
- IUPAC
- N-(6-chloro-2-phenylpyrimidin-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
Names & synonyms
SCHEMBL3167906MPCLGHMERMVVAX-JXMROGBWSA-NN-(6-Chloro-2-phenylpyrimidin-4-yl)-2-{4-[(2E)-3-phenylprop-2-enyl]piperazin-1-yl}acetamide
Database identifiers
- PubChem CID
- 22353283
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 597
Related reactions
3 records
Compound notes
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