Chemical ID: 6621356

CCC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccccc2Cl)Oc3ccc(cc3Cl)Cl
Chemical ID:
6621356
Name [?]:
[4-[2-(2,4-dichlorophenoxy)butanoylaminoiminomethyl]phenyl] 2-chlorobenzoate
SMILES [?]:
CCC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccccc2Cl)Oc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C24H19Cl3N2O4/c1-2-21(33-22-12-9-16(25)13-20(22)27)23(30)29-28-14-15-7-10-17(11-8-15)32-24(31)18-5-3-4-6-19(18)26/h3-14,21H,2H2,1H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,22,10,14,28,11,13,27,30,8,9,29,12,18,23,31,3,26,4,16,33,24,32,7,6,5,17,15,25/E:(7,8)(10,11)/rA:33cCCCCONNCCCCCCCOCOCCCCCCClOCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;w7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s3;s25;s26;d27;s28;d29;d26s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19Cl3N2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.6152
Area:738.221
Solvation:-5.8403
Coulombic:-48.2971
Bond Count [?]
All:35
Single:23
Double:12
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:505.777
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:7.93
LogP (Chemaxon):6.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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