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Chemical ID: 6882982
Chemical ID:
6882982
Name [?]:
N-(4-butylphenyl)-4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylmethoxy]benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C26H24ClF3N2O3/c1-2-3-4-17-5-10-20(11-6-17)31-25(34)18-7-12-21(13-8-18)35-16-24(33)32-23-15-19(26(28,29)30)9-14-22(23)27/h5-15H,2-4,16H2,1H3,(H,31,34)(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,6,10,15,19,28,7,9,16,18,29,26,21,5,14,27,8,17,30,25,22,12,32,31,33,34,35,11,24,23,13,20/E:(5,6)(7,8)(10,11)(12,13)(28,29,30)/rA:35nCCCCCCCCCCNCOCCCCCCOCCONCCCCCCClCFFF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s27;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24ClF3N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1282 |
Area: | 754.131 |
Solvation: | -5.72507 |
Coulombic: | -69.9241 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 504.928 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 7.23 |
LogP (Chemaxon): | 6.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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