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Chemical ID: 4655963
Chemical ID:
4655963
Name [?]:
N-[4-(2-furylcarbonylamino)-2-methyl-phenyl]benzofuran-2-carboxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2cc3ccccc3o2)NC(=O)c4ccco4
InChi [?]:
InChI=1/C21H16N2O4/c1-13-11-15(22-20(24)18-7-4-10-26-18)8-9-16(13)23-21(25)19-12-14-5-2-3-6-17(14)27-19/h2-12H,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,15,16,25,14,17,24,5,6,26,3,12,2,13,4,7,18,23,11,21,9,20,8,22,10,27,19/rA:27nCCCCCCCNCOCCCCCCCCONCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s4;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0884 |
Area: | 578.638 |
Solvation: | -3.37754 |
Coulombic: | -61.162 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.363 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.52 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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