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Chemical ID: 6847430
Chemical ID:
6847430
Name [?]:
N-(2-ethoxyphenyl)-2-[2-(4-methoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)COc2c(=O)c3c(cc(cc3oc2c4ccc(cc4)OC)C)C
InChi [?]:
InChI=1/C28H27NO6/c1-5-33-22-9-7-6-8-21(22)29-24(30)16-34-28-26(31)25-18(3)14-17(2)15-23(25)35-27(28)19-10-12-20(32-4)13-11-19/h6-15H,5,16H2,1-4H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,34,35,33,2,7,6,8,5,27,31,28,30,20,22,13,21,19,26,29,9,4,23,11,18,16,25,15,10,12,17,32,3,14,24/E:(10,11)(12,13)/rA:35nCCOCCCCCCNCOCOCCOCCCCCCOCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;s26;d27;s28;d29;d26s30;s29;s32;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H27NO6 |
All Atoms: | 62 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.224 |
Area: | 715.79 |
Solvation: | -6.67076 |
Coulombic: | -62.4543 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 473.517 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.74 |
LogP (Chemaxon): | 5.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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