{6-[4-(benzyloxy)phenyl]-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl}(phenyl)methanone
Chemical Structure Depiction of
{6-[4-(benzyloxy)phenyl]-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl}(phenyl)methanone
{6-[4-(benzyloxy)phenyl]-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | 3453-0542 |
| Compound Name: | {6-[4-(benzyloxy)phenyl]-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinan-5-yl}(phenyl)methanone |
| Molecular Weight: | 486.51 |
| Molecular Formula: | C25 H21 F3 N2 O3 S |
| Smiles: | C(c1ccccc1)Oc1ccc(cc1)C1C(C(c2ccccc2)=O)C(C(F)(F)F)(NC(N1)=S)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8477 |
| logD: | 4.8477 |
| logSw: | -4.7645 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.832 |
| InChI Key: | PQOYHSQLTFQGID-UHFFFAOYSA-N |