Chemical ID: 6245645

Cc1ccccc1C(=O)Nc2nnc(o2)C3=COCCO3
Chemical ID:
6245645
Name [?]:
N-[5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2nnc(o2)C3=COCCO3
InChi [?]:
InChI=1/C14H13N3O4/c1-9-4-2-3-5-10(9)12(18)15-14-17-16-13(21-14)11-8-19-6-7-20-11/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,19,20,17,2,7,16,8,14,11,10,13,12,9,18,21,15/rA:21nCCCCCCCCONCNNCOCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;d16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N3O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.77867
Area:470.455
Solvation:-3.98272
Coulombic:-53.0546
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.271
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.38
LogP (Chemaxon):0.41

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