Chemical ID: 5988997

Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4Cl)Cl
Chemical ID:
5988997
Name [?]:
3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C21H20Cl2N4O2/c1-13-4-2-5-14(10-13)19-25-20(29-26-19)15-6-3-9-27(12-15)21(28)24-18-8-7-16(22)11-17(18)23/h2,4-5,7-8,10-11,15H,3,6,9,12H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,4,15,3,5,14,24,23,16,7,26,18,2,6,13,25,27,22,8,10,19,29,28,21,9,12,17,20,11/rA:29cCCCCCCCCNCONCCCCNCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20Cl2N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:14.1069
Area:652.54
Solvation:-2.20659
Coulombic:-44.5866
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:431.315
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.12
LogP (Chemaxon):4.88

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