Chemical ID: 5995038

Cc1ccc(c(c1)C)NC(=O)N2CCCC(C2)c3nc(no3)c4cccc(c4)Cl
Chemical ID:
5995038
Name [?]:
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)-piperidine-1-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)N2CCCC(C2)c3nc(no3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C22H23ClN4O2/c1-14-8-9-19(15(2)11-14)24-22(28)27-10-4-6-17(13-27)21-25-20(26-29-21)16-5-3-7-18(23)12-16/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,8,25,14,24,15,26,3,4,13,7,28,17,2,6,23,16,27,5,20,18,10,29,9,19,21,12,11,22/rA:29cCCCCCCCCNCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23ClN4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.5713
Area:644.56
Solvation:-2.54271
Coulombic:-43.8323
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:410.896
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.73
LogP (Chemaxon):4.83

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Descriptor Annotations

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