Chemical ID: 5989182

COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)Nc4c(cccc4Cl)Cl
Chemical ID:
5989182
Name [?]:
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)Nc4c(cccc4Cl)Cl
InChi [?]:
InChI=1/C21H20Cl2N4O3/c1-29-15-7-5-13(6-8-15)19-25-20(30-26-19)14-9-11-27(12-10-14)21(28)24-18-16(22)3-2-4-17(18)23/h2-8,14H,9-12H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,5,7,4,8,15,19,16,18,6,14,3,24,28,23,9,11,20,30,29,22,10,13,17,21,2,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(16,17)(22,23)/rA:30nCOCCCCCCCNCONCCCNCCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20Cl2N4O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1773
Area:653.663
Solvation:-4.1643
Coulombic:-50.3044
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:447.314
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.6
LogP (Chemaxon):3.36

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