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Chemical ID: 6847205
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
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Experimental Annotations
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Descriptor Annotations
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