N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
Chemical Structure Depiction of
N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
Compound characteristics
| Compound ID: | Y500-4645 |
| Compound Name: | N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide |
| Molecular Weight: | 467.51 |
| Molecular Formula: | C21 H24 F3 N5 O2 S |
| Smiles: | CC(C(NN1C(C)=Nc2c(C1=O)c1CCCCCCc1s2)=O)n1c(C)cc(C(F)(F)F)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5661 |
| logD: | 3.566 |
| logSw: | -3.9648 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.23 |
| InChI Key: | YEKFYWOGWXMFEE-LBPRGKRZSA-N |