5-{1-[2-(2-hydroxyethoxy)ethyl]-2-methyl-6-(trifluoromethyl)pyridin-4(1H)-ylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{1-[2-(2-hydroxyethoxy)ethyl]-2-methyl-6-(trifluoromethyl)pyridin-4(1H)-ylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{1-[2-(2-hydroxyethoxy)ethyl]-2-methyl-6-(trifluoromethyl)pyridin-4(1H)-ylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 5847-4081 |
| Compound Name: | 5-{1-[2-(2-hydroxyethoxy)ethyl]-2-methyl-6-(trifluoromethyl)pyridin-4(1H)-ylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 391.37 |
| Molecular Formula: | C15 H16 F3 N3 O4 S |
| Smiles: | CC1=CC(C=C(C(F)(F)F)N1CCOCCO)=C1C(NC(NC1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0081 |
| logD: | 0.2815 |
| logSw: | -2.1611 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.43 |
| InChI Key: | AVCVYQFHLRTFSI-UHFFFAOYSA-N |