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Chemical ID: 6862090
Chemical ID:
6862090
Name [?]:
2-[2-(2-furyl)-6,7-dimethyl-4-oxo-chromen-3-yl]oxy-N-phenyl-acetamide
SMILES [?]:
Cc1cc2c(cc1C)oc(c(c2=O)OCC(=O)Nc3ccccc3)c4ccco4
InChi [?]:
InChI=1/C23H19NO5/c1-14-11-17-19(12-15(14)2)29-22(18-9-6-10-27-18)23(21(17)26)28-13-20(25)24-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,22,21,23,27,20,24,26,28,3,6,15,2,7,19,4,25,5,16,12,10,11,18,17,13,29,14,9/E:(4,5)(7,8)/rA:29nCCCCCCCCOCCCOOCCONCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s10;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19NO5 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03647 |
Area: | 598.543 |
Solvation: | -5.92711 |
Coulombic: | -53.0317 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 389.401 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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