Chemical ID: 5941557

CCCCC(CC)C(=O)Nc1ccc(cc1)c2csc(n2)N3CCCCC3
Chemical ID:
5941557
Name [?]:
2-ethyl-N-[4-[2-(1-piperidyl)thiazol-4-yl]phenyl]-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccc(cc1)c2csc(n2)N3CCCCC3
InChi [?]:
InChI=1/C22H31N3OS/c1-3-5-9-17(4-2)21(26)23-19-12-10-18(11-13-19)20-16-27-22(24-20)25-14-7-6-8-15-25/h10-13,16-17H,3-9,14-15H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,25,24,26,4,13,15,12,16,23,27,18,5,14,11,17,8,20,10,21,22,9,19/E:(7,8)(10,11)(12,13)(14,15)/rA:27cCCCCCCCCONCCCCCCCCSCNNCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s18;s19;s17d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H31N3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:13.3124
Area:641.045
Solvation:-2.71373
Coulombic:-35.3312
Bond Count [?]
All:29
Single:23
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:385.567
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.01
LogP (Chemaxon):6.48

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Descriptor Annotations

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