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Chemical ID: 7029113
Chemical ID:
7029113
Name [?]:
N-(2,6-dimethylphenyl)-5-(4-nitrophenyl)-furan-2-carboxamide
SMILES [?]:
Cc1cccc(c1NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-])C
InChi [?]:
InChI=1/C19H16N2O4/c1-12-4-3-5-13(2)18(12)20-19(22)17-11-10-16(25-17)14-6-8-15(9-7-14)21(23)24/h3-11H,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,4,3,5,17,21,18,20,13,12,2,6,16,19,14,11,7,9,8,22,10,23,24,15/E:(1,2)(4,5)(6,7)(8,9)(12,13)(23,24)/CRV:21.5/rA:25nCCCCCCCNCOCCCCOCCCCCCN+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s19;d22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O4 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.78082 |
Area: | 549.359 |
Solvation: | -7.95317 |
Coulombic: | -43.1501 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 336.341 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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