Chemical ID: 7432987

c1cc(ccc1C2CC(c3c2ccc(c3)C(F)(F)F)N4CCN(CC4)CCO)F
Chemical ID:
7432987
Name [?]:
2-[4-[3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-yl]piperazin-1-yl]ethanol
SMILES [?]:
c1cc(ccc1C2CC(c3c2ccc(c3)C(F)(F)F)N4CCN(CC4)CCO)F
InChi [?]:
InChI=1/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2
InChi Info:
AuxInfo=1/0/N:1,5,13,2,4,12,22,24,21,25,26,27,15,8,6,14,3,11,7,10,9,16,29,17,18,19,23,20,28/E:(1,2)(4,5)(7,8)(9,10)(24,25,26)/rA:29cCCCCCCCCCCCCCCCCFFFNCCNCCCCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s7s10;d11;s12;d13;d10s14;s14;s16;s16;s16;s9;s20;s21;s22;s23;s20s24;s23;s26;s27;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24F4N2O
All Atoms:53
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:9.48012
Area:582.403
Solvation:-5.07996
Coulombic:-50.0482
Bond Count [?]
All:32
Single:26
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:408.432
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.59
LogP (Chemaxon):4.31

Name Annotations

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Descriptor Annotations

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