ChemDB: Chemical Search
Download
Chemical ID: 7703026
Chemical ID:
7703026
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc4ccccc4c3
InChi [?]:
InChI=1/C28H26N2O3/c1-20-7-9-23(10-8-20)19-32-26-14-11-22(12-15-26)18-29-30-28(31)21(2)33-27-16-13-24-5-3-4-6-25(24)17-27/h3-18,21H,19H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,22,29,30,28,31,3,7,4,6,12,14,26,11,15,25,33,16,8,2,21,13,5,27,32,10,24,19,17,18,20,9,23/E:(7,8)(9,10)(11,12)(14,15)/rA:33cCCCCCCCCOCCCCCCCNNCOCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s21;s23;s24;d25;s26;s27;d28;s29;d30;d27s31;d24s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H26N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8656 |
Area: | 704.1 |
Solvation: | -6.73687 |
Coulombic: | -36.859 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.53 |
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 |
---|