Chemical ID: 6647531

Cc1ccc(cc1OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(cc3)OC)C(C)C
Chemical ID:
6647531
Name [?]:
[4-[[2-(5-isopropyl-2-methyl-phenoxy)acetyl]aminoiminomethyl]-2-methoxy-phenyl] 4-methoxybenzoate
SMILES [?]:
Cc1ccc(cc1OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(cc3)OC)C(C)C
InChi [?]:
InChI=1/C28H30N2O6/c1-18(2)22-8-6-19(3)25(15-22)35-17-27(31)30-29-16-20-7-13-24(26(14-20)34-5)36-28(32)21-9-11-23(33-4)12-10-21/h6-16,18H,17H2,1-5H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:35,36,1,33,22,3,16,4,27,31,28,30,17,20,6,14,9,34,2,15,26,5,29,18,7,19,10,24,13,12,11,25,32,21,8,23/E:(1,2)(9,10)(11,12)/rA:36nCCCCCCCOCCONNCCCCCCCOCOCOCCCCCCOCCCC/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;s29;s32;s5;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H30N2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:10.66
Area:779.97
Solvation:-8.83928
Coulombic:-60.736
Bond Count [?]
All:38
Single:26
Double:12
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:490.548
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:6.37
LogP (Chemaxon):5.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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