Chemical ID: 6218132

Cc1c(sc(n1)NC(=O)COc2ccccc2)C(=O)C
Chemical ID:
6218132
Name [?]:
N-(5-acetyl-4-methyl-thiazol-2-yl)-2-phenoxy-acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)COc2ccccc2)C(=O)C
InChi [?]:
InChI=1/C14H14N2O3S/c1-9-13(10(2)17)20-14(15-9)16-12(18)8-19-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,20,15,14,16,13,17,10,2,18,12,8,3,5,6,7,19,9,11,4/E:(4,5)(6,7)/rA:20nCCCSCNNCOCOCCCCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N2O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.56487
Area:488.167
Solvation:-5.63929
Coulombic:-39.5233
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.339
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.23
LogP (Chemaxon):1.36

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