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Chemical ID: 5995046
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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