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Chemical ID: 6437574
Chemical ID:
6437574
Name [?]:
[4-[[2-(4-chloro-2-methyl-phenoxy)acetyl]aminoiminomethyl]-2-methoxy-phenyl] 2-chlorobenzoate
SMILES [?]:
Cc1cc(ccc1OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccccc3Cl)Cl
InChi [?]:
InChI=1/C24H20Cl2N2O5/c1-15-11-17(25)8-10-20(15)32-14-23(29)28-27-13-16-7-9-21(22(12-16)31-2)33-24(30)18-5-3-4-6-19(18)26/h3-13H,14H2,1-2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,22,28,29,27,30,16,5,17,6,3,20,14,9,2,15,4,26,31,7,18,19,10,24,33,32,13,12,11,25,21,8,23/rA:33nCCCCCCCOCCONNCCCCCCCOCOCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20Cl2N2O5 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7491 |
Area: | 732.326 |
Solvation: | -7.55906 |
Coulombic: | -53.9054 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 487.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 6.29 |
LogP (Chemaxon): | 5.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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