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Chemical ID: 6847211
Chemical ID:
6847211
Name [?]:
2-[2-(2-furyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-N-isobutyl-acetamide
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)NCC(C)C)C
InChi [?]:
InChI=1/C21H23NO5/c1-12(2)10-22-17(23)11-26-21-18(24)15-9-13(3)8-14(4)19(15)27-20(21)16-6-5-7-25-16/h5-9,12H,10-11H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:25,26,1,27,15,14,16,3,7,23,19,24,2,4,6,13,20,8,5,11,10,22,21,9,17,18,12/E:(1,2)/rA:27nCCCCCCCCOCCOCCCCOOCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;s22;s23;s24;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23NO5 |
All Atoms: | 50 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.23291 |
Area: | 591.892 |
Solvation: | -5.56439 |
Coulombic: | -53.4171 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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