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Chemical ID: 5517693
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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