Chemical ID: 5988424

c1cc(cc(c1)Cl)c2nc(on2)C3CCN(CC3)C(=O)c4ccc5c(c4)OCO5
Chemical ID:
5988424
Name [?]:
benzo[1,3]dioxol-5-yl-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCN(CC3)C(=O)c4ccc5c(c4)OCO5
InChi [?]:
InChI=1/C21H18ClN3O4/c22-16-3-1-2-14(10-16)19-23-20(29-24-19)13-6-8-25(9-7-13)21(26)15-4-5-17-18(11-15)28-12-27-17/h1-5,10-11,13H,6-9,12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,23,14,18,15,17,4,26,28,13,3,21,5,24,25,8,10,19,7,9,12,16,20,29,27,11/E:(6,7)(8,9)/rA:29nCCCCCCClCNCONCCCNCCCOCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18ClN3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.2819
Area:622.328
Solvation:-4.27626
Coulombic:-46.0006
Bond Count [?]
All:33
Single:24
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:411.838
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.33
LogP (Chemaxon):3.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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