1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-nitro-1H-pyrazole-5-carboxamide
1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-2160 |
| Compound Name: | 1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 388.4 |
| Molecular Formula: | C16 H16 N6 O4 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1c(cnn1C)[N+]([O-])=O)=O)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 1 |
| logD: | 0.6184 |
| logSw: | -2.0671 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.206 |
| InChI Key: | NMACDJKTHIKCJD-UHFFFAOYSA-N |