N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-1675 |
| Compound Name: | N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 467.51 |
| Molecular Formula: | C21 H24 F3 N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1cc(C(F)(F)F)n(C)n1)=O)=O)c1CCC(Cc1s2)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6437 |
| logD: | 3.6436 |
| logSw: | -4.1817 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.126 |
| InChI Key: | SUGHHMBMUNZYPP-LLVKDONJSA-N |