N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,3-dimethyl-1H-pyrazole-4-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)-1,3-dimethyl-1H-pyrazole-4-carboxamide
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y500-2222 |
| Compound Name: | N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C21 H27 N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1cn(C)nc1C)=O)=O)c1CCC(Cc1s2)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4967 |
| logD: | 2.4939 |
| logSw: | -2.5658 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.772 |
| InChI Key: | RKXJWQGFJAXDKJ-CYBMUJFWSA-N |