3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)propanamide
Chemical Structure Depiction of
3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)propanamide
3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)propanamide
Compound characteristics
| Compound ID: | Y500-2930 |
| Compound Name: | 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)propanamide |
| Molecular Weight: | 504.33 |
| Molecular Formula: | C18 H17 Br F3 N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(CCn1c(C)c(c(C(F)(F)F)n1)[Br])=O)=O)c1CCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.434 |
| logD: | 2.4338 |
| logSw: | -2.2933 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.488 |
| InChI Key: | DFVGTLRKLPROPE-UHFFFAOYSA-N |