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Chemical ID: 5989182
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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