2-[(1S,4S,6S)-6-isopropyl-3-methyl-4-{2-oxo-2-[4-(pyrazin-2-yl)piperazin-1-yl]ethyl}cyclohex-2-en-1-yl]acetonitrile
AlkaPlorer ID: AK089532
Synonym: None
IUPAC Name: 2-[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile
Structure
SMILES: CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C2=CN=CC=N2)CC1
InChI: InChI=1S/C22H31N5O/c1-16(2)20-13-19(17(3)12-18(20)4-5-23)14-22(28)27-10-8-26(9-11-27)21-15-24-6-7-25-21/h6-7,12,15-16,18-20H,4,8-11,13-14H2,1-3H3/t18-,19+,20+/m1/s1
InChIKey: DMNAQKTVHWQKIX-AABGKKOBSA-N
Source
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Properties Information
Molecule Weight: 381.5240000000001
TPSA？: 73.12
MolLogP？: 3.2835800000000024
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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