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Chemical ID: 5988160
Chemical ID:
5988160
Name [?]:
(2,4-dichlorophenyl)-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C21H19Cl2N3O2/c1-13-5-7-14(8-6-13)19-24-20(28-25-19)18-4-2-3-11-26(18)21(27)16-10-9-15(22)12-17(16)23/h5-10,12,18H,2-4,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,14,3,7,4,6,23,22,17,25,2,5,24,21,26,13,8,10,19,28,27,9,12,18,20,11/E:(5,6)(7,8)/rA:28cCCCCCCCCNCONCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19Cl2N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9497 |
Area: | 602.199 |
Solvation: | -3.10526 |
Coulombic: | -31.4482 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 416.3 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.07 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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