2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Chemical Structure Depiction of
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | Y502-1000 |
| Compound Name: | 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 487.93 |
| Molecular Formula: | C20 H21 Cl F3 N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(Cn1c(C)c(c(C(F)(F)F)n1)[Cl])=O)=O)c1CCCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5051 |
| logD: | 3.505 |
| logSw: | -4.8353 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.474 |
| InChI Key: | KOGAFDUJHXVQRD-UHFFFAOYSA-N |