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Chemical ID: 4189466
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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