Chemical ID: 5995046

CCOC(=O)CNC(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)Cl
Chemical ID:
5995046
Name [?]:
ethyl 2-[[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylamino]acetate
SMILES [?]:
CCOC(=O)CNC(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H21ClN4O4/c1-2-26-15(24)10-20-18(25)23-9-3-4-13(11-23)17-21-16(22-27-17)12-5-7-14(19)8-6-12/h5-8,13H,2-4,9-11H2,1H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,22,26,23,25,11,6,15,21,14,24,4,18,16,8,27,7,17,19,10,5,9,3,20/E:(5,6)(7,8)/rA:27cCCOCOCNCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21ClN4O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.7644
Area:638.469
Solvation:-3.19734
Coulombic:-61.9688
Bond Count [?]
All:29
Single:22
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:392.837
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.62
LogP (Chemaxon):2.3

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Descriptor Annotations

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