N-[7-(bromomethyl)-7-methyl-2,4-dioxo-3-(trifluoromethyl)-1,2,3,4,7,8-hexahydropyrrolo[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl]benzamide
Chemical Structure Depiction of
N-[7-(bromomethyl)-7-methyl-2,4-dioxo-3-(trifluoromethyl)-1,2,3,4,7,8-hexahydropyrrolo[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl]benzamide
N-[7-(bromomethyl)-7-methyl-2,4-dioxo-3-(trifluoromethyl)-1,2,3,4,7,8-hexahydropyrrolo[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl]benzamide
Compound characteristics
| Compound ID: | 8019-1537 |
| Compound Name: | N-[7-(bromomethyl)-7-methyl-2,4-dioxo-3-(trifluoromethyl)-1,2,3,4,7,8-hexahydropyrrolo[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-3-yl]benzamide |
| Molecular Weight: | 503.3 |
| Molecular Formula: | C18 H14 Br F3 N4 O3 S |
| Smiles: | CC1(CN2C3=C(C(N=C2S1)=O)C(C(N3)=O)(C(F)(F)F)NC(c1ccccc1)=O)C[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6762 |
| logD: | -0.0867 |
| logSw: | -3.1355 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.024 |
| InChI Key: | YKTBIVFENMCUDI-UHFFFAOYSA-N |