Chemical ID: 6783754

CCc1ccc(cc1)c2c(sc(n2)c3ccccc3OC)CC(=O)[O-]
Chemical ID:
6783754
Name [?]:
2-[4-(4-ethylphenyl)-2-(2-methoxyphenyl)-thiazol-5-yl]acetate
SMILES [?]:
CCc1ccc(cc1)c2c(sc(n2)c3ccccc3OC)CC(=O)[O-]
InChi [?]:
InChI=1/C20H19NO3S/c1-3-13-8-10-14(11-9-13)19-17(12-18(22)23)25-20(21-19)15-6-4-5-7-16(15)24-2/h4-11H,3,12H2,1-2H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,21,2,16,17,15,18,4,8,5,7,22,3,6,14,19,10,23,9,12,13,24,25,20,11/E:(8,9)(10,11)(22,23)/rA:25nCCCCCCCCCCSCNCCCCCCOCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s10;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18NO3S-
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-31.2913
Area:554.222
Solvation:-45.1468
Coulombic:-14.6679
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:352.428
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.78
LogP (Chemaxon):4.76

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