Chemical ID: 4099795

COc1cc(cc(c1OC)I)C=NNC(=O)c2cc3ccccc3o2
Chemical ID:
4099795
Name [?]:
N-[(3-iodo-4,5-dimethoxy-phenyl)methyleneamino]benzofuran-2-carboxamide
SMILES [?]:
COc1cc(cc(c1OC)I)C=NNC(=O)c2cc3ccccc3o2
InChi [?]:
InChI=1/C18H15IN2O4/c1-23-15-8-11(7-13(19)17(15)24-2)10-20-21-18(22)16-9-12-5-3-4-6-14(12)25-16/h3-10H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,21,22,20,23,6,4,18,12,5,19,7,24,3,17,8,15,11,13,14,16,2,9,25/rA:25nCOCCCCCCOCICNNCOCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s5;w12;s13;s14;d15;s15;d17;s18;s19;d20;s21;d22;d19s23;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15IN2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.21686
Area:554.528
Solvation:-5.64634
Coulombic:-43.6143
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:450.227
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.68
LogP (Chemaxon):4.07

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