Chemical ID: 5852702

COc1cccc2c1oc(c2)C(=O)NN=Cc3ccc4c(c3)OCO4
Chemical ID:
5852702
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyleneamino)-7-methoxy-benzofuran-2-carboxamide
SMILES [?]:
COc1cccc2c1oc(c2)C(=O)NN=Cc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C18H14N2O5/c1-22-14-4-2-3-12-8-16(25-17(12)14)18(21)20-19-9-11-5-6-13-15(7-11)24-10-23-13/h2-9H,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,18,19,22,11,16,24,17,7,20,3,21,10,8,12,15,14,13,2,25,23,9/rA:25nCOCCCCCCOCCCONNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.324
Area:532.303
Solvation:-5.98357
Coulombic:-52.3093
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:338.314
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.72
LogP (Chemaxon):3.02

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