ChemDB: Chemical Search
Download
Chemical ID: 5941557
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|