N-[(3-methoxyphenyl)methyl]-2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide
N-[(3-methoxyphenyl)methyl]-2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G604-0169 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-({6-oxo-5-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,6-dihydropyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 513.51 |
| Molecular Formula: | C21 H18 F3 N3 O5 S2 |
| Smiles: | COc1cccc(CNC(CSC2NC(C(=CN=2)S(c2cccc(c2)C(F)(F)F)(=O)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4844 |
| logD: | 0.8427 |
| logSw: | -2.9689 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.006 |
| InChI Key: | BXPLILCWKUMIJC-UHFFFAOYSA-N |