ChemDB: Chemical Search
Download
Chemical ID: 5609640
Chemical ID:
5609640
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C(=O)N(CCN2C(=O)c3cccc4c3c(ccc4)C2=O)c5ccc(cc5)OC
InChi [?]:
InChI=1/C29H24N2O4/c1-19-6-3-9-21(18-19)27(32)30(22-12-14-23(35-2)15-13-22)16-17-31-28(33)24-10-4-7-20-8-5-11-25(26(20)24)29(31)34/h3-15,18H,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,35,4,18,24,3,19,25,5,17,23,29,33,30,32,11,12,7,2,20,6,28,31,16,22,21,8,14,26,10,13,9,15,27,34/E:(4,5)(7,8)(10,11)(12,13)(14,15)(24,25)(28,29)(33,34)/rA:35nCCCCCCCCONCCNCOCCCCCCCCCCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s13s22;d26;s10;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H24N2O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.334 |
Area: | 652.419 |
Solvation: | -3.97648 |
Coulombic: | -54.5734 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 464.512 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.68 |
LogP (Chemaxon): | 4.54 |
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 |
---|