Chemical ID: 7038898

CC(=O)Oc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC
Chemical ID:
7038898
Name [?]:
[4-[bis[(4-methoxybenzoyl)amino]methyl]-2-methoxy-phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C(NC(=O)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C26H26N2O7/c1-16(29)35-22-14-9-19(15-23(22)34-4)24(27-25(30)17-5-10-20(32-2)11-6-17)28-26(31)18-7-12-21(33-3)13-8-18/h5-15,24H,1-4H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,24,35,12,18,22,29,33,7,19,21,30,32,6,9,2,17,28,8,20,31,5,10,13,15,26,14,25,3,16,27,23,34,11,4/E:(2,3)(5,6,7,8)(10,11,12,13)(17,18)(20,21)(25,26)(27,28)(30,31)(32,33)/gE:(1,2)/rA:35nCCOOCCCCCCOCCNCOCCCCCCOCNCOCCCCCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s13;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26N2O7
All Atoms:61
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:9.90079
Area:733.521
Solvation:-8.43723
Coulombic:-82.6923
Bond Count [?]
All:37
Single:25
Double:12
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:478.494
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:3.86
LogP (Chemaxon):2.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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