Chemical ID: 5988333

CC(C)(CCl)C(=O)N1CCCC(C1)c2nc(no2)c3cccc(c3)Cl
Chemical ID:
5988333
Name [?]:
3-chloro-1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2,2-dimethyl-propan-1-one
SMILES [?]:
CC(C)(CCl)C(=O)N1CCCC(C1)c2nc(no2)c3cccc(c3)Cl
InChi [?]:
InChI=1/C18H21Cl2N3O2/c1-18(2,11-19)17(24)23-8-4-6-13(10-23)16-21-15(22-25-16)12-5-3-7-14(20)9-12/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,10,20,11,22,9,24,13,4,19,12,23,16,14,6,2,5,25,15,17,8,7,18/E:(1,2)/rA:25cCCCCClCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;s10;s11;s8s12;s12;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21Cl2N3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:12.2833
Area:585.91
Solvation:-2.36441
Coulombic:-30.3143
Bond Count [?]
All:27
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:382.284
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.95
LogP (Chemaxon):4.41

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