4-chloro-1,5-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-3-carboxamide
Chemical Structure Depiction of
4-chloro-1,5-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-3-carboxamide
4-chloro-1,5-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-3-carboxamide
Compound characteristics
| Compound ID: | Y500-1316 |
| Compound Name: | 4-chloro-1,5-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-3-carboxamide |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C19 H22 Cl N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1c(c(C)n(C)n1)[Cl])=O)=O)c1CCCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.8215 |
| logD: | 2.8199 |
| logSw: | -4.2431 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.974 |
| InChI Key: | KFFALMGNZUAUGX-UHFFFAOYSA-N |