Chemical ID: 5989281

CC(C)c1cccc(c1NC(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Cl)C(C)C
Chemical ID:
5989281
Name [?]:
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-diisopropylphenyl)-piperidine-1-carboxamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Cl)C(C)C
InChi [?]:
InChI=1/C26H31ClN4O2/c1-16(2)21-8-5-9-22(17(3)4)23(21)28-26(32)31-14-6-7-19(15-31)25-29-24(30-33-25)18-10-12-20(27)13-11-18/h5,8-13,16-17,19H,6-7,14-15H2,1-4H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,3,32,33,6,15,16,5,7,25,29,26,28,14,18,2,31,24,17,27,4,8,9,21,19,11,30,10,20,22,13,12,23/E:(1,2,3,4)(8,9)(10,11)(12,13)(16,17)(21,22)/rA:33cCCCCCCCCCNCONCCCCCCNCNOCCCCCCClCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;s8;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31ClN4O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:15.2828
Area:713.223
Solvation:-2.54779
Coulombic:-45.1819
Bond Count [?]
All:36
Single:27
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:467.003
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.45
LogP (Chemaxon):5.63

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue