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Chemical ID: 6847433
Chemical ID:
6847433
Name [?]:
N-(2,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)Nc3ccc(cc3OC)OC)c4ccc(cc4)OC)C
InChi [?]:
InChI=1/C28H27NO7/c1-16-12-17(2)25-23(13-16)36-27(18-6-8-19(32-3)9-7-18)28(26(25)31)35-15-24(30)29-21-11-10-20(33-4)14-22(21)34-5/h6-14H,15H2,1-5H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,36,35,27,25,29,33,30,32,20,19,3,7,22,14,2,4,28,31,21,18,23,6,15,5,11,9,10,17,16,12,34,26,24,13,8/E:(6,7)(8,9)/rA:36nCCCCCCCOCCCOOCCONCCCCCCOCOCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s21;s26;s9;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: | 10.3183 |
Area: | 728.283 |
Solvation: | -7.8888 |
Coulombic: | -68.345 |
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: | 5.23 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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