1-(difluoromethyl)-N-[4-imino-7-(methylsulfanyl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(difluoromethyl)-N-[4-imino-7-(methylsulfanyl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]-1H-pyrazole-3-carboxamide
1-(difluoromethyl)-N-[4-imino-7-(methylsulfanyl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y503-3296 |
| Compound Name: | 1-(difluoromethyl)-N-[4-imino-7-(methylsulfanyl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 352.32 |
| Molecular Formula: | C12 H10 F2 N8 O S |
| Smiles: | CSc1ncc2C(=N)N(C=Nc2n1)NC(c1ccn(C(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0694 |
| logD: | -5.4645 |
| logSw: | -2.258 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.048 |
| InChI Key: | VOCIQTZGUWGQKV-UHFFFAOYSA-N |