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Chemical ID: 6899339
Chemical ID:
6899339
Name [?]:
4-[1-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]ethoxy]-N-(2-ethoxyphenyl)-benzamide
SMILES [?]:
CCOc1ccccc1NC(=O)c2ccc(cc2)OC(C)C(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C25H22ClF3N2O4/c1-3-34-22-7-5-4-6-20(22)30-24(33)16-8-11-18(12-9-16)35-15(2)23(32)31-21-14-17(25(27,28)29)10-13-19(21)26/h4-15H,3H2,1-2H3,(H,30,33)(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,21,2,7,6,8,5,14,18,28,15,17,29,26,20,13,27,16,30,9,25,4,22,11,32,31,33,34,35,10,24,23,12,3,19/E:(8,9)(11,12)(27,28,29)/rA:35cCCOCCCCCCNCOCCCCCCOCCCONCCCCCCClCFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;s20;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s27;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22ClF3N2O4 |
All Atoms: | 57 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2038 |
Area: | 732.606 |
Solvation: | -6.11134 |
Coulombic: | -78.0506 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 506.901 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.06 |
LogP (Chemaxon): | 5.31 |
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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