1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2,2,2-trifluoroethan-1-one
Chemical Structure Depiction of
1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2,2,2-trifluoroethan-1-one
1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2,2,2-trifluoroethan-1-one
Compound characteristics
| Compound ID: | 8017-1350 |
| Compound Name: | 1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2,2,2-trifluoroethan-1-one |
| Molecular Weight: | 428.43 |
| Molecular Formula: | C19 H19 F3 N2 O4 S |
| Smiles: | COc1ccc(cc1)C1N(CCCN1S(c1ccccc1)(=O)=O)C(C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2918 |
| logD: | 3.2918 |
| logSw: | -3.6531 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.867 |
| InChI Key: | BTOFZYZRTLJXBT-KRWDZBQOSA-N |