Chemical ID: 6644268

Cc1ccc(cc1OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3)Cl)C(C)C
Chemical ID:
6644268
Name [?]:
[4-[[2-(5-isopropyl-2-methyl-phenoxy)acetyl]aminoiminomethyl]phenyl] 4-chlorobenzoate
SMILES [?]:
Cc1ccc(cc1OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3)Cl)C(C)C
InChi [?]:
InChI=1/C26H25ClN2O4/c1-17(2)21-7-4-18(3)24(14-21)32-16-25(30)29-28-15-19-5-12-23(13-6-19)33-26(31)20-8-10-22(27)11-9-20/h4-15,17H,16H2,1-3H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:32,33,1,3,16,20,4,25,29,26,28,17,19,6,14,9,31,2,15,24,5,27,18,7,10,22,30,13,12,11,23,8,21/E:(1,2)(5,6)(8,9)(10,11)(12,13)/rA:33nCCCCCCCOCCONNCCCCCCCOCOCCCCCCClCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;s5;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25ClN2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.5194
Area:747.034
Solvation:-6.15646
Coulombic:-47.6548
Bond Count [?]
All:35
Single:23
Double:12
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:464.94
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:7.43
LogP (Chemaxon):6.42

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Descriptor Annotations

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