3-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}methyl)-5,8a-dimethyl-2H,3H,3aH,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one
AlkaPlorer ID: AK360116
Synonym: None
IUPAC Name: (3S,3aR,8aR,9aR)-3-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one
Structure
SMILES: CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(C5=CC=C(F)C=C5)C5=CC=C(F)C=C5)CC4)[C@H]3C=C12
InChI: InChI=1S/C32H36F2N2O2/c1-21-4-3-13-32(2)19-29-26(18-28(21)32)27(31(37)38-29)20-35-14-16-36(17-15-35)30(22-5-9-24(33)10-6-22)23-7-11-25(34)12-8-23/h4-12,18,26-27,29-30H,3,13-17,19-20H2,1-2H3/t26-,27-,29-,32-/m1/s1
InChIKey: CVOXPHSKZYIAOW-UUEOAETPSA-N
Source
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Properties Information
Molecule Weight: 518.6480000000001
TPSA？: 32.78
MolLogP？: 5.906100000000007
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 6
Activities Information
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