Chemical ID: 5941589

c1ccc(c(c1)C(=O)Nc2cccc(c2)c3csc(n3)N4CCCCC4)Cl
Chemical ID:
5941589
Name [?]:
2-chloro-N-[3-[2-(1-piperidyl)thiazol-4-yl]phenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2cccc(c2)c3csc(n3)N4CCCCC4)Cl
InChi [?]:
InChI=1/C21H20ClN3OS/c22-18-10-3-2-9-17(18)20(26)23-16-8-6-7-15(13-16)19-14-27-21(24-19)25-11-4-1-5-12-25/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:24,1,2,23,25,12,13,11,6,3,22,26,15,17,14,10,5,4,16,7,19,27,9,20,21,8,18/E:(4,5)(11,12)/rA:27nCCCCCCCONCCCCCCCCSCNNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s17;s18;s16d19;s19;s21;s22;s23;s24;s21s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClN3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.9918
Area:607.383
Solvation:-3.1928
Coulombic:-35.9017
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.922
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.52
LogP (Chemaxon):5.95

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