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Chemical ID: 6147329
Chemical ID:
6147329
Name [?]:
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(4-chloro-3-methyl-phenoxy)acetate
SMILES [?]:
Cc1cc(ccc1Cl)OCC(=O)Oc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H17Cl2NO4/c1-14-12-19(10-11-20(14)24)28-13-21(26)29-18-8-2-15(3-9-18)22(27)25-17-6-4-16(23)5-7-17/h2-12H,13H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,16,18,25,27,24,28,15,19,5,6,3,10,2,17,26,23,14,4,7,11,20,29,8,22,12,21,9,13/E:(2,3)(4,5)(6,7)(8,9)/rA:29nCCCCCCCClOCCOOCCCCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17Cl2NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2135 |
Area: | 671.196 |
Solvation: | -4.56634 |
Coulombic: | -49.7072 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 430.28 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.38 |
LogP (Chemaxon): | 5.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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