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Chemical ID: 7172829
Chemical ID:
7172829
Name [?]:
N,N'-bis(2-furylmethyl)-1-methyl-pyrazole-3,5-dicarboxamide
SMILES [?]:
Cn1c(cc(n1)C(=O)NCc2ccco2)C(=O)NCc3ccco3
InChi [?]:
InChI=1/C16H16N4O4/c1-20-14(16(22)18-10-12-5-3-7-24-12)8-13(19-20)15(21)17-9-11-4-2-6-23-11/h2-8H,9-10H2,1H3,(H,17,21)(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,13,22,12,21,14,23,4,10,19,11,20,5,3,7,16,9,18,6,2,8,17,15,24/rA:24nCNCCCNCONCCCCCOCONCCCCCO/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;d11;s12;d13;s11s14;s3;d16;s16;s18;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N4O4 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97277 |
Area: | 562.433 |
Solvation: | -5.08805 |
Coulombic: | -61.8498 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 328.323 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.15 |
LogP (Chemaxon): | -0.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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