Chemical ID: 4160422

Cc1ccc(c(c1)C)OCCCC(=O)Nc2nc(cs2)c3ccccc3
Chemical ID:
4160422
Name [?]:
4-(2,4-dimethylphenoxy)-N-(4-phenylthiazol-2-yl)-butanamide
SMILES [?]:
Cc1ccc(c(c1)C)OCCCC(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C21H22N2O2S/c1-15-10-11-19(16(2)13-15)25-12-6-9-20(24)23-21-22-18(14-26-21)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,24,23,25,11,22,26,12,3,4,10,7,19,2,6,21,18,5,13,16,17,15,14,9,20/E:(4,5)(7,8)/rA:26nCCCCCCCCOCCCCONCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;d13;s13;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1788
Area:614.251
Solvation:-4.17749
Coulombic:-34.637
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.478
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.69
LogP (Chemaxon):5.59

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