4-bromo-1-ethyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-1-ethyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-3-carboxamide
4-bromo-1-ethyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-3247 |
| Compound Name: | 4-bromo-1-ethyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 464.38 |
| Molecular Formula: | C19 H22 Br N5 O2 S |
| Smiles: | CCn1cc(c(C(NN2C(C)=Nc3c(C2=O)c2CCCCCCc2s3)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.0613 |
| logD: | 3.0588 |
| logSw: | -3.2078 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.989 |
| InChI Key: | DZWNYYRQWBDAAH-UHFFFAOYSA-N |