N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | G604-0145 |
Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide |
Molecular Weight: | 527.5 |
Molecular Formula: | C21 H16 F3 N3 O6 S2 |
Smiles: | C1COc2cc(ccc2O1)NC(CSC1NC(C(=CN=1)S(c1cccc(c1)C(F)(F)F)(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.6784 |
logD: | 0.0366 |
logSw: | -2.683 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 102.963 |
InChI Key: | WUNBQGKBKSDNPZ-UHFFFAOYSA-N |