N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-ethyl-4-nitro-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-ethyl-4-nitro-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-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-1247 |
| 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-ethyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C21 H26 N6 O4 S |
| Smiles: | CCn1cc(c(C(NN2C(C)=Nc3c(C2=O)c2CCC(Cc2s3)C(C)(C)C)=O)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.883 |
| logD: | 2.8089 |
| logSw: | -3.2989 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.739 |
| InChI Key: | PHWOVFBYTDNIOV-GFCCVEGCSA-N |