Chemical ID: 6847205

CCN(CC)C(=O)COc1c(=O)c2cc(cc(c2oc1c3ccco3)C)C
Chemical ID:
6847205
Name [?]:
N,N-diethyl-2-[2-(2-furyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
CCN(CC)C(=O)COc1c(=O)c2cc(cc(c2oc1c3ccco3)C)C
InChi [?]:
InChI=1/C21H23NO5/c1-5-22(6-2)17(23)12-26-21-18(24)15-11-13(3)10-14(4)19(15)27-20(21)16-8-7-9-25-16/h7-11H,5-6,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,27,26,2,4,23,22,24,16,14,8,15,17,13,21,6,11,18,20,10,3,7,12,25,9,19/E:(1,2)(5,6)/rA:27nCCNCCCOCOCCOCCCCCCOCCCCCOCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s22;d23;s21s24;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO5
All Atoms:50
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.8891
Area:578.597
Solvation:-5.57581
Coulombic:-48.3609
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:369.411
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.39
LogP (Chemaxon):3.1

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue