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Chemical ID: 6400938
Chemical ID:
6400938
Name [?]:
N-(4-chlorophenyl)-4-[4-[(4-chlorophenyl)carbamoyl]phenoxy]-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc(cc2)Cl)Oc3ccc(cc3)C(=O)Nc4ccc(cc4)Cl
InChi [?]:
InChI=1/C26H18Cl2N2O3/c27-19-5-9-21(10-6-19)29-25(31)17-1-13-23(14-2-17)33-24-15-3-18(4-16-24)26(32)30-22-11-7-20(28)8-12-22/h1-16H,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,5,20,22,12,14,29,31,11,15,28,32,2,4,19,23,6,21,13,30,10,27,3,18,7,24,16,33,9,26,8,25,17/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:33nCCCCCCCONCCCCCCClOCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s3;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H18Cl2N2O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.0358 |
Area: | 723.093 |
Solvation: | -4.04157 |
Coulombic: | -53.155 |
Bond Count [?]
All: | 36 |
Single: | 22 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 477.338 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.69 |
LogP (Chemaxon): | 6.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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