Chemical ID: 5999951

CCCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl)C(=O)CC
Chemical ID:
5999951
Name [?]:
N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl)C(=O)CC
InChi [?]:
InChI=1/C21H27ClN4O3/c1-3-12-25(18(27)4-2)14-19(28)26-13-6-5-7-17(26)21-23-20(24-29-21)15-8-10-16(22)11-9-15/h8-11,17H,3-7,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,28,11,10,12,20,24,21,23,3,9,5,19,22,13,26,6,16,14,25,15,17,4,8,27,7,18/E:(8,9)(10,11)/rA:29cCCCNCCONCCCCCCNCNOCCCCCCClCOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s4;d26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27ClN4O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.7732
Area:648.034
Solvation:-4.42764
Coulombic:-44.9106
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:418.917
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.64
LogP (Chemaxon):3.28

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