ChemDB: Chemical Search
Download
Chemical ID: 5292967
Chemical ID:
5292967
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCc5ccc(cc5)OC)C
InChi [?]:
InChI=1/C28H25NO4/c1-17-4-9-20(10-5-17)25-24-26(30)22-16-18(2)6-13-23(22)33-27(24)28(31)29(25)15-14-19-7-11-21(32-3)12-8-19/h4-13,16,25H,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,32,3,7,15,26,30,4,6,27,29,16,24,23,13,2,14,25,5,28,12,17,9,8,10,19,20,22,11,21,31,18/E:(4,5)(7,8)(9,10)(11,12)/rA:33cCCCCCCCCCCOCCCCCCOCCONCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H25NO4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4457 |
Area: | 678.943 |
Solvation: | -4.52794 |
Coulombic: | -44.2639 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 439.502 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.08 |
LogP (Chemaxon): | 5.37 |
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 |
---|