Chemical ID: 4189466

COc1ccc(cc1OC)NC(=O)c2ccc(o2)Br
Chemical ID:
4189466
Name [?]:
5-bromo-N-(3,4-dimethoxyphenyl)-furan-2-carboxamide
SMILES [?]:
COc1ccc(cc1OC)NC(=O)c2ccc(o2)Br
InChi [?]:
InChI=1/C13H12BrNO4/c1-17-9-4-3-8(7-11(9)18-2)15-13(16)10-5-6-12(14)19-10/h3-7H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,10,5,4,15,16,7,6,3,14,8,17,12,19,11,13,2,9,18/rA:19nCOCCCCCCOCNCOCCCCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;d14;s15;d16;s14s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12BrNO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.49521
Area:465.644
Solvation:-5.1459
Coulombic:-44.0561
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:326.143
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.06
LogP (Chemaxon):1.98

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Descriptor Annotations

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