ChemDB: Chemical Search
Download
Chemical ID: 7703715
Chemical ID:
7703715
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(cc2)OC)C=NNC(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C25H24N2O6/c1-4-32-23-14-17(16-26-27-24(28)19-6-5-7-21(15-19)31-3)8-13-22(23)33-25(29)18-9-11-20(30-2)12-10-18/h5-16H,4H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,20,33,2,28,27,29,7,14,18,15,17,8,5,31,21,6,13,26,16,30,9,4,24,11,22,23,25,12,19,32,3,10/E:(9,10)(11,12)/rA:33nCCOCCCCCCOCOCCCCCCOCCNNCOCCCCCCOC/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;d27;s28;d29;d26s30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O6 |
All Atoms: | 57 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0802 |
Area: | 729.704 |
Solvation: | -8.16238 |
Coulombic: | -61.076 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.4 |
LogP (Chemaxon): | None |
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 |
---|