Chemical ID: 7172829

Cn1c(cc(n1)C(=O)NCc2ccco2)C(=O)NCc3ccco3
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

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Descriptor Annotations

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