Chemical ID: 7097829

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4cccc(c4)Cl
Chemical ID:
7097829
Name [?]:
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4cccc(c4)Cl
InChi [?]:
InChI=1/C21H21ClN4O3/c1-28-18-9-2-5-14(11-18)19-24-20(29-25-19)15-6-4-10-26(13-15)21(27)23-17-8-3-7-16(22)12-17/h2-3,5,7-9,11-12,15H,4,6,10,13H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,5,25,16,6,15,26,24,4,17,8,28,19,7,14,27,23,3,9,11,20,29,22,10,13,18,21,2,12/rA:29cCOCCCCCCCNCONCCCCNCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21ClN4O3
All Atoms:50
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.1229
Area:641.668
Solvation:-3.91876
Coulombic:-50.1949
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):4.29

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