Chemical ID: 5873015

c1ccc(cc1)c2ccccc2NC(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F
Chemical ID:
5873015
Name [?]:
N-(2-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]-piperazine-1-carboxamide
SMILES [?]:
c1ccc(cc1)c2ccccc2NC(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C24H22F3N3O/c25-24(26,27)19-9-6-10-20(17-19)29-13-15-30(16-14-29)23(31)28-22-12-5-4-11-21(22)18-7-2-1-3-8-18/h1-12,17H,13-16H2,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,10,24,3,5,25,23,8,11,18,20,17,21,27,4,26,22,7,12,14,28,29,30,31,13,19,16,15/E:(2,3)(7,8)(13,14)(15,16)(25,26,27)/rA:31nCCCCCCCCCCCCNCONCCNCCCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s19;s22;d23;s24;d25;d22s26;s26;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22F3N3O
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.8345
Area:609.681
Solvation:-3.40756
Coulombic:-58.1371
Bond Count [?]
All:34
Single:24
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:425.446
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.73
LogP (Chemaxon):6.12

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Descriptor Annotations

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