1-methyl-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
1-methyl-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
1-methyl-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: | Y500-3189 |
| Compound Name: | 1-methyl-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: | 371.46 |
| Molecular Formula: | C18 H21 N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1ccnn1C)=O)=O)c1CCCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.0352 |
| logD: | 2.033 |
| logSw: | -2.6024 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.591 |
| InChI Key: | DOZBNNMDMQWBEC-UHFFFAOYSA-N |