951008-65-4
(S)-2-[1-[[4-(1-PYRROLIDINYL)-3-PYRIDINYL]CARBONYL]-2-PYRROLIDINYL]BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHANOL
Name
(S)-2-[1-[[4-(1-PYRROLIDINYL)-3-PYRIDINYL]CARBONYL]-2-PYRROLIDINYL]BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHANOL
Formula
C31 H25 F12 N3 O2
MolWeight
699.534
1Identification
【Name】
(S)-2-[1-[[4-(1-PYRROLIDINYL)-3-PYRIDINYL]CARBONYL]-2-PYRROLIDINYL]BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHANOL
【CAS】
【MDL】
MFCD17015289
【English Synonyms】
【Formula】
C31 H25 F12 N3 O2
【MolWeight】
699.534
【Inchi】
InChI=1S/C31H25F12N3O2/c32-28(33,34)19-10-17(11-20(14-19)29(35,36)37)27(48,18-12-21(30(38,39)40)15-22(13-18)31(41,42)43)25-4-3-9-46(25)26(47)23-16-44-6-5-24(23)45-7-1-2-8-45/h5-6,10-16,25,48H,1-4,7-9H2/t25-/m0/s1
【InChIKey】
InChIKey=LVJPWYSGCCTYAC-VWLOTQADSA-N
【SMILES】
c1cncc(c1N2CCCC2)C(=O)N3CCC[C@H]3C(c4cc(cc(c4)C(F)(F)F)C(F)(F)F)(c5cc(cc(c5)C(F)(F)F)C(F)(F)F)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
(S)-2-[1-[[4-(1-PYRROLIDINYL)-3-PYRIDINYL]CARBONYL]-2-PYRROLIDINYL]BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]METHANOL.cml
Quick Release
(3-[4-(CYCLOPROPYLMETHYL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPYL)(PROPAN-2-YL)AMINE
(2-([4-(CYCLOPROPYLMETHYL)PIPERAZIN-1-YL]METHYL)-2-METHYLBUTYL)(METHYL)AMINE
(3-([(BUTAN-2-YL)(BUTYL)AMINO]METHYL)OXOLAN-3-YL)METHANAMINE
(3-[(BUTAN-2-YL)(BUTYL)AMINO]-2,2-DIMETHYLPROPYL)(PROPAN-2-YL)AMINE
(2-([(BUTAN-2-YL)(BUTYL)AMINO]METHYL)-2-METHYLBUTYL)(METHYL)AMINE
SELENA SEL10658146
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SELENA SEL10658146