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Chemical ID: 6847037
Chemical ID:
6847037
Name [?]:
2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxyacetamide
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)N)C
InChi [?]:
InChI=1/C20H19NO5/c1-11-8-12(2)18-15(9-11)17(23)20(25-10-16(21)22)19(26-18)13-4-6-14(24-3)7-5-13/h4-9H,10H2,1-3H3,(H2,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,20,14,18,15,17,3,7,22,2,4,13,16,6,23,8,5,11,10,25,24,9,19,21,12/E:(4,5)(6,7)/rA:26nCCCCCCCCOCCOCCCCCCOCOCCONC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;s22;d23;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO5 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.1698 |
Area: | 555.684 |
Solvation: | -5.72229 |
Coulombic: | -58.0731 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 353.369 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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