7-(5-ethoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Chemical Structure Depiction of
7-(5-ethoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
7-(5-ethoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 5111-0322 |
| Compound Name: | 7-(5-ethoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 474.46 |
| Molecular Formula: | C22 H17 F3 N4 O3 S |
| Smiles: | CCOc1ccc2c(c1)\C(=C1/C(N3CN(CN=C3S1)c1cccc(c1)C(F)(F)F)=O)C(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9584 |
| logD: | 4.9505 |
| logSw: | -4.5515 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.873 |
| InChI Key: | BYGMVLRSOQAHQK-UHFFFAOYSA-N |