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Chemical ID: 5274237
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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