N-(5-Cyano-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl)benzamide
Basic information
- CAS
918662-95-0- Standard SMILES
N#Cc1cnc(N2CCN(c3ccccc3)CC2)nc1NC(=O)c1ccccc1- InChIKey
FPUIEAINKYRKME-UHFFFAOYSA-N- Molecular formula
- C22H20N6O
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.16985928
Names & identifiers
- Preferred name
- N-(5-Cyano-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl)benzamide
- IUPAC
- N-[5-cyano-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
Names & synonyms
918662-95-0N-(5-Cyano-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl)benzamideN-[5-Cyano-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamideDTXSID80582152
Database identifiers
- CAS
918662-95-0- PubChem CID
- 16091997
- DTXSID
DTXSID80582152
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 583
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