Chemical ID: 5274237

CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc3ccco3)C2=O
Chemical ID:
5274237
Name [?]:
[2-(2-furylmethylene)-3-oxo-benzofuran-6-yl] diethylaminoformate
SMILES [?]:
CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc3ccco3)C2=O
InChi [?]:
InChI=1/C18H17NO5/c1-3-19(4-2)18(21)23-13-7-8-14-15(11-13)24-16(17(14)20)10-12-6-5-9-22-12/h5-11H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,20,19,10,11,21,17,14,18,9,12,13,16,23,6,3,24,7,22,8,15/E:(1,2)(3,4)/rA:24nCCNCCCOOCCCCCCOCCCCCCOCO/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;w16;s17;d18;s19;d20;s18s21;s12s16;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.46833
Area:545.543
Solvation:-4.17024
Coulombic:-51.5996
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:327.331
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.74
LogP (Chemaxon):2.69

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Descriptor Annotations

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