ChemDB: Chemical Search
Download
Chemical ID: 6847116
Chemical ID:
6847116
Name [?]:
2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OCC(=O)Nc4ccc(cc4)OC)C
InChi [?]:
InChI=1/C28H27NO7/c1-16-12-17(2)26-21(13-16)25(31)28(27(36-26)18-6-11-22(33-4)23(14-18)34-5)35-15-24(30)29-19-7-9-20(32-3)10-8-19/h6-14H,15H2,1-5H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,36,35,22,20,14,29,33,30,32,15,3,7,18,24,2,4,13,28,31,6,16,17,25,8,5,11,10,27,26,9,34,21,19,23,12/E:(7,8)(9,10)/rA:36nCCCCCCCCOCCOCCCCCCOCOCOCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;s31;s34;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H27NO7 |
All Atoms: | 63 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8391 |
Area: | 726.91 |
Solvation: | -9.33364 |
Coulombic: | -66.8477 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 489.517 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.75 |
LogP (Chemaxon): | 4.62 |
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 |
---|