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Chemical ID: 5997568
Chemical ID:
5997568
Name [?]:
N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-isopropyl-acetamide
SMILES [?]:
CC(C)N(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)C
InChi [?]:
InChI=1/C20H25ClN4O3/c1-13(2)25(14(3)26)12-18(27)24-10-5-4-9-17(24)20-22-19(23-28-20)15-7-6-8-16(21)11-15/h6-8,11,13,17H,4-5,9-10,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,28,11,10,21,20,22,12,9,24,5,2,26,19,23,13,6,16,14,25,15,17,8,4,27,7,18/E:(1,2)/rA:28cCCCNCCONCCCCCCNCNOCCCCCCClCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s4;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25ClN4O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.865 |
Area: | 609.867 |
Solvation: | -4.38169 |
Coulombic: | -43.8918 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 404.89 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.49 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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