Chemical ID: 6851626

CCCCOc1ccc(cc1)c2csc(n2)NC(=O)C
Chemical ID:
6851626
Name [?]:
N-[4-(4-butoxyphenyl)thiazol-2-yl]acetamide
SMILES [?]:
CCCCOc1ccc(cc1)c2csc(n2)NC(=O)C
InChi [?]:
InChI=1/C15H18N2O2S/c1-3-4-9-19-13-7-5-12(6-8-13)14-10-20-15(17-14)16-11(2)18/h5-8,10H,3-4,9H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,8,10,7,11,4,13,18,9,6,12,15,17,16,19,5,14/E:(5,6)(7,8)/rA:20nCCCCOCCCCCCCCSCNNCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s12d15;s15;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2O2S
All Atoms:38
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.14999
Area:511.084
Solvation:-3.6271
Coulombic:-33.4225
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.382
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):3.67

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