Chemical ID: 4938300

Cc1cc(oc(=O)c1NC(=O)c2cnccn2)c3ccco3
Chemical ID:
4938300
Name [?]:
N-[6-(2-furyl)-4-methyl-2-oxo-pyran-3-yl]pyrazine-2-carboxamide
SMILES [?]:
Cc1cc(oc(=O)c1NC(=O)c2cnccn2)c3ccco3
InChi [?]:
InChI=1/C15H11N3O4/c1-9-7-12(11-3-2-6-21-11)22-15(20)13(9)18-14(19)10-8-16-4-5-17-10/h2-8H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,19,15,16,21,3,13,2,12,18,4,8,10,6,14,17,9,11,7,22,5/rA:22nCCCCOCOCNCOCCNCCNCCCCO/rB:s1;s2;d3;s4;s5;d6;d2s6;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s4;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N3O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.28518
Area:488.934
Solvation:-3.93816
Coulombic:-58.2868
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:297.266
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.01
LogP (Chemaxon):1.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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