4-bromo-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
4-bromo-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2697 |
| Compound Name: | 4-bromo-N-(2,7-dimethyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 450.36 |
| Molecular Formula: | C18 H20 Br N5 O2 S |
| Smiles: | CC1CCc2c3C(N(C(C)=Nc3sc2C1)NC(c1c(c(C)n(C)n1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3129 |
| logD: | 2.3112 |
| logSw: | -2.4076 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.643 |
| InChI Key: | VMWQZDOZGQDEOG-MRVPVSSYSA-N |