Chemical ID: 5425106

c1ccc(cc1)COc2ccccc2C(=O)Nc3ncc(s3)Cc4cccc(c4)C(F)(F)F
Chemical ID:
5425106
Name [?]:
2-benzyloxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]thiazol-2-yl]-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccccc2C(=O)Nc3ncc(s3)Cc4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C25H19F3N2O2S/c26-25(27,28)19-10-6-9-18(13-19)14-20-15-29-24(33-20)30-23(31)21-11-4-5-12-22(21)32-16-17-7-2-1-3-8-17/h1-13,15H,14,16H2,(H,29,30,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,26,3,5,25,27,13,10,29,23,20,7,4,24,28,21,14,9,15,18,30,31,32,33,19,17,16,8,22/E:(2,3)(7,8)(26,27,28)/rA:33nCCCCCCCOCCCCCCCONCNCCSCCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;d18;s19;d20;s18s21;s21;s23;s24;d25;s26;d27;d24s28;s28;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19F3N2O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.0328
Area:688.017
Solvation:-6.16764
Coulombic:-54.3844
Bond Count [?]
All:36
Single:24
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:468.492
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.49
LogP (Chemaxon):6.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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