ChemDB: Chemical Search
Download
Chemical ID: 7707250
Chemical ID:
7707250
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)c2ccc(cc2)OCc3ccc(cc3)C
InChi [?]:
InChI=1/C26H28N2O3/c1-3-4-17-30-24-13-9-21(10-14-24)18-27-28-26(29)23-11-15-25(16-12-23)31-19-22-7-5-20(2)6-8-22/h5-16,18H,3-4,17,19H2,1-2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,31,2,3,27,29,26,30,8,10,18,22,7,11,19,21,4,12,24,28,9,25,17,6,20,15,13,14,16,5,23/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:31nCCCCOCCCCCCCNNCOCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.0823 |
Area: | 724.139 |
Solvation: | -6.02123 |
Coulombic: | -36.8156 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.32 |
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 |
---|