4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y508-3954 |
| Compound Name: | 4-bromo-1-methyl-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 478.29 |
| Molecular Formula: | C16 H15 Br F3 N5 O2 S |
| Smiles: | CCCc1cc2C(N(C(C)=Nc2s1)NC(c1c(c(C(F)(F)F)nn1C)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5941 |
| logD: | 2.5906 |
| logSw: | -2.8827 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.751 |
| InChI Key: | NSXRPKRFJMBEKG-UHFFFAOYSA-N |