4-bromo-1,3-dimethyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-1,3-dimethyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-1H-pyrazole-5-carboxamide
4-bromo-1,3-dimethyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-2827 |
| Compound Name: | 4-bromo-1,3-dimethyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 422.3 |
| Molecular Formula: | C16 H16 Br N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1c(c(C)nn1C)[Br])=O)=O)c1CCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 1.3674 |
| logD: | 1.3552 |
| logSw: | -1.7969 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.844 |
| InChI Key: | VTBVNEHOLPQLQY-UHFFFAOYSA-N |