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Chemical ID: 7021119
Chemical ID:
7021119
Name [?]:
[2-ethoxy-4-[(2-phenoxyacetyl)aminoiminomethyl]phenyl] 3,4-dimethoxybenzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(c(c2)OC)OC)C=NNC(=O)COc3ccccc3
InChi [?]:
InChI=1/C26H26N2O7/c1-4-33-24-14-18(16-27-28-25(29)17-34-20-8-6-5-7-9-20)10-12-22(24)35-26(30)19-11-13-21(31-2)23(15-19)32-3/h5-16H,4,17H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,22,20,2,33,32,34,31,35,7,14,8,15,5,18,23,28,6,13,30,16,9,17,4,26,11,24,25,27,12,21,19,3,29,10/E:(6,7)(8,9)/rA:35nCCOCCCCCCOCOCCCCCCOCOCCNNCOCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s6;w23;s24;s25;d26;s26;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N2O7 |
All Atoms: | 61 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.10679 |
Area: | 767.248 |
Solvation: | -11.0744 |
Coulombic: | -66.4554 |
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: | 4.81 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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