Chemical ID: 6876071

CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3c(cc(cc3Cl)Cl)Cl
Chemical ID:
6876071
Name [?]:
4-[(4-ethoxyphenyl)carbamoylmethoxy]-N-(2,4,6-trichlorophenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3c(cc(cc3Cl)Cl)Cl
InChi [?]:
InChI=1/C23H19Cl3N2O4/c1-2-31-17-9-5-16(6-10-17)27-21(29)13-32-18-7-3-14(4-8-18)23(30)28-22-19(25)11-15(24)12-20(22)26/h3-12H,2,13H2,1H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,2,17,19,6,8,16,20,5,9,26,28,13,18,27,7,4,15,25,29,11,24,21,31,32,30,10,23,12,22,3,14/E:(3,4)(5,6)(7,8)(9,10)(11,12)(19,20)(25,26)/rA:32nCCOCCCCCCNCOCOCCCCCCCONCCCCCCClClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19Cl3N2O4
All Atoms:51
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.8253
Area:728.929
Solvation:-6.39794
Coulombic:-57.1833
Bond Count [?]
All:34
Single:23
Double:11
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:493.766
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.85
LogP (Chemaxon):4.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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