9XH

(2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione



Chemical Component Summary

Name(2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione
Identifiers(2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)butane-1,4-dione
FormulaC29 H30 F2 N4 O2
Molecular Weight504.571
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)CN(C2)C(=O)[C@H](CC(=O)N3CCN(CC3)C(c4ccc(cc4)F)c5ccc(cc5)F)N
InChIInChI=1S/C29H30F2N4O2/c30-24-9-5-20(6-10-24)28(21-7-11-25(31)12-8-21)34-15-13-33(14-16-34)27(36)17-26(32)29(37)35-18-22-3-1-2-4-23(22)19-35/h1-12,26,28H,13-19,32H2/t26-/m0/s1
InChIKeyZKIQFLSGMMYCGS-SANMLTNESA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count1
Bond Count71
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL1814633
PubChem 56658139
ChEMBL CHEMBL1814633