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Chemical ID: 5425106
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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