Chemical ID: 5989251

COc1ccccc1NC(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl
Chemical ID:
5989251
Name [?]:
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyphenyl)-piperidine-1-carboxamide
SMILES [?]:
COc1ccccc1NC(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C21H21ClN4O3/c1-28-18-8-3-2-7-17(18)23-21(27)26-11-9-14(10-12-26)20-24-19(25-29-20)15-5-4-6-16(22)13-15/h2-8,13-14H,9-12H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,6,5,25,24,26,7,4,14,16,13,17,28,15,23,27,8,3,20,18,10,29,9,19,21,12,11,2,22/E:(9,10)(11,12)/rA:29nCOCCCCCCNCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21ClN4O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.2857
Area:638.959
Solvation:-3.68824
Coulombic:-51.1843
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:412.869
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.98
LogP (Chemaxon):4.14

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