4-bromo-1,3-dimethyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-1,3-dimethyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-5-carboxamide
4-bromo-1,3-dimethyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-3150 |
| Compound Name: | 4-bromo-1,3-dimethyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 464.38 |
| Molecular Formula: | C19 H22 Br N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1c(c(C)nn1C)[Br])=O)=O)c1CCCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.7696 |
| logD: | 2.7573 |
| logSw: | -3.0537 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.81 |
| InChI Key: | CIHLWUDZJWPQDB-UHFFFAOYSA-N |