ethyl (2-{[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}-1,3-thiazol-4-yl)acetate
Chemical Structure Depiction of
ethyl (2-{[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}-1,3-thiazol-4-yl)acetate
ethyl (2-{[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}-1,3-thiazol-4-yl)acetate
Compound characteristics
Compound ID: | 3334-5254 |
Compound Name: | ethyl (2-{[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}-1,3-thiazol-4-yl)acetate |
Molecular Weight: | 486.25 |
Molecular Formula: | C16 H12 Cl2 F3 N3 O5 S |
Smiles: | CCOC(Cc1csc(NC(NC2(C(F)(F)F)Oc3cc(c(cc3O2)[Cl])[Cl])=O)n1)=O |
Stereo: | ACHIRAL |
logP: | 4.9682 |
logD: | 4.9116 |
logSw: | -5.1182 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.333 |
InChI Key: | DBGLWWCIXGHCDG-UHFFFAOYSA-N |