3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Chemical Structure Depiction of
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y500-2884 |
| Compound Name: | 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C20 H24 N6 O4 S |
| Smiles: | CC1CCc2c3C(N(C(C)=Nc3sc2C1)NC(CCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.913 |
| logD: | 1.9128 |
| logSw: | -2.2534 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.708 |
| InChI Key: | ROANGHMMWUCZFX-SNVBAGLBSA-N |