methyl 4-[2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | G604-0144 |
| Compound Name: | methyl 4-[2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 527.5 |
| Molecular Formula: | C21 H16 F3 N3 O6 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSC1NC(C(=CN=1)S(c1cccc(c1)C(F)(F)F)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7965 |
| logD: | 1.1548 |
| logSw: | -3.6312 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.314 |
| InChI Key: | FOIZSMOJWSIICI-UHFFFAOYSA-N |