N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G604-0170 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | C(c1ccc2c(c1)OCO2)NC(CSC1NC(C(=CN=1)S(c1cccc(c1)C(F)(F)F)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3002 |
| logD: | 0.6585 |
| logSw: | -3.0339 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.578 |
| InChI Key: | FDHMMXTXQYNWMK-UHFFFAOYSA-N |