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-4-nitro-1H-pyrazole-5-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-4-nitro-1H-pyrazole-5-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-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-1255 |
| 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-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C21 H26 N6 O4 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1c(c(C)nn1C)[N+]([O-])=O)=O)=O)c1CCC(Cc1s2)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5898 |
| logD: | 2.305 |
| logSw: | -2.715 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.258 |
| InChI Key: | IWOLAVPZDQDAJI-GFCCVEGCSA-N |