Chemical ID: 5517693

c1ccc(cc1)C(CC(=O)Nc2ncc(s2)Cc3cccc(c3)C(F)(F)F)c4ccccc4
Chemical ID:
5517693
Name [?]:
3,3-diphenyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-propanamide
SMILES [?]:
c1ccc(cc1)C(CC(=O)Nc2ncc(s2)Cc3cccc(c3)C(F)(F)F)c4ccccc4
InChi [?]:
InChI=1/C26H21F3N2OS/c27-26(28,29)21-13-7-8-18(14-21)15-22-17-30-25(33-22)31-24(32)16-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,17,23H,15-16H2,(H,30,31,32)
InChi Info:
AuxInfo=1/1/N:1,31,2,6,30,32,20,19,3,5,29,33,21,23,17,8,14,18,4,28,22,15,7,9,12,24,25,26,27,13,11,10,16/E:(1,2)(3,4,5,6)(9,10,11,12)(19,20)(27,28,29)/rA:33nCCCCCCCCCONCNCCSCCCCCCCCFFFCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s22;s24;s24;s24;s7;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H21F3N2OS
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.5384
Area:686.584
Solvation:-4.62619
Coulombic:-47.2029
Bond Count [?]
All:36
Single:24
Double:12
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:466.519
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.34
LogP (Chemaxon):6.99

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Descriptor Annotations

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