5-{(3R)-4-[(3-acetylphenyl)sulfonyl]-3-methylpiperazin-1-yl}pyridine-2-carbonitrile
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Basic information
- Standard SMILES
CC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)C[C@H]2C)c1- InChIKey
NZXMUOIDGSRQHH-CQSZACIVSA-N- Molecular formula
- C19H20N4O3S
- Average molar mass
- 384.5 g/mol
Names & identifiers
- Preferred name
- 5-{(3R)-4-[(3-acetylphenyl)sulfonyl]-3-methylpiperazin-1-yl}pyridine-2-carbonitrile
- IUPAC
- 5-[(3R)-4-(3-acetylphenyl)sulfonyl-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
Names & synonyms
SCHEMBL3215197NZXMUOIDGSRQHH-CQSZACIVSA-N5-{(3R)-4-[(3-acetylphenyl)sulfonyl]-3-methylpiperazin-1-yl}pyridine-2-carbonitrile
Database identifiers
- PubChem CID
- 44249587
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 695
Related reactions
1 records
Compound notes
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