ChemDB: Chemical Search
Download
Chemical ID: 7708486
Chemical ID:
7708486
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C30H28N2O3/c1-22-8-10-25(11-9-22)21-34-28-16-12-24(13-17-28)20-31-32-30(33)23(2)35-29-18-14-27(15-19-29)26-6-4-3-5-7-26/h3-20,23H,21H2,1-2H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,22,33,32,34,31,35,3,7,4,6,12,14,26,28,11,15,25,29,16,8,2,21,13,5,30,27,10,24,19,17,18,20,9,23/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:35cCCCCCCCCOCCCCCCCNNCOCCOCCCCCCCCCCCC/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;d27;d24s28;s27;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H28N2O3 |
All Atoms: | 63 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.813 |
Area: | 749.313 |
Solvation: | -6.91982 |
Coulombic: | -37.605 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 8.2 |
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 |
---|