1-ethyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-ethyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-4-nitro-1H-pyrazole-3-carboxamide
1-ethyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-1243 |
| Compound Name: | 1-ethyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C19 H22 N6 O4 S |
| Smiles: | CCn1cc(c(C(NN2C(C)=Nc3c(C2=O)c2CCCCCCc2s3)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3176 |
| logD: | 2.2435 |
| logSw: | -2.4521 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.07 |
| InChI Key: | XQKQQAWORFDUII-UHFFFAOYSA-N |