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Chemical ID: 4130297
Chemical ID:
4130297
Name [?]:
[2-ethoxy-4-[[2-(4-methoxyphenoxy)acetyl]aminoiminomethyl]phenyl] 4-methoxybenzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(cc2)OC)C=NNC(=O)COc3ccc(cc3)OC
InChi [?]:
InChI=1/C26H26N2O7/c1-4-33-24-15-18(5-14-23(24)35-26(30)19-6-8-20(31-2)9-7-19)16-27-28-25(29)17-34-22-12-10-21(32-3)11-13-22/h5-16H,4,17H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,20,35,2,7,14,18,15,17,30,32,29,33,8,5,21,26,6,13,16,31,28,9,4,24,11,22,23,25,12,19,34,3,27,10/E:(6,7)(8,9)(10,11)(12,13)/rA:35nCCOCCCCCCOCOCCCCCCOCCNNCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s6;w21;s22;s23;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N2O7 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.89308 |
Area: | 758.833 |
Solvation: | -10.0778 |
Coulombic: | -66.6327 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 478.494 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 5.08 |
LogP (Chemaxon): | 3.83 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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