5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-2981 |
| Compound Name: | 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)furan-2-carboxamide |
| Molecular Weight: | 504.4 |
| Molecular Formula: | C21 H22 Br N5 O3 S |
| Smiles: | CCCc1cc2C(N(C(C)=Nc2s1)NC(c1ccc(Cn2c(C)c(c(C)n2)[Br])o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1374 |
| logD: | 3.1373 |
| logSw: | -3.4017 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.812 |
| InChI Key: | OHZMYVYRTTUZNQ-UHFFFAOYSA-N |