Chemical ID: 6847211

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)NCC(C)C)C
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

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Descriptor Annotations

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