2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Chemical Structure Depiction of
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | Y500-2987 |
| Compound Name: | 2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 464.38 |
| Molecular Formula: | C19 H22 Br N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(Cn1cc(c(C)n1)[Br])=O)=O)c1CCCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.9149 |
| logD: | 2.9148 |
| logSw: | -3.2285 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.857 |
| InChI Key: | JBETYJCAVBYWMN-UHFFFAOYSA-N |