Chemical ID: 5988499

c1ccc(cc1)C=CC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl
Chemical ID:
5988499
Name [?]:
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C=CC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H20ClN3O2/c23-18-12-10-17(11-13-18)21-24-22(28-25-21)19-8-4-5-15-26(19)20(27)14-9-16-6-2-1-3-7-16/h1-3,6-7,9-14,19H,4-5,8,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,13,3,5,15,7,23,27,24,26,8,12,4,22,25,16,9,19,17,28,18,20,11,10,21/E:(2,3)(6,7)(10,11)(12,13)/rA:28cCCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;s13;s14;s11s15;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20ClN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.013
Area:571.073
Solvation:-3.26384
Coulombic:-31.5175
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:393.866
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.28
LogP (Chemaxon):4.99

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