ChemDB: Chemical Search
Download
Chemical ID: 7038898
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|