N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-chloro-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-chloro-1-methyl-1H-pyrazole-3-carboxamide
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-chloro-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2493 |
| Compound Name: | N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-4-chloro-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 433.96 |
| Molecular Formula: | C20 H24 Cl N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1c(cn(C)n1)[Cl])=O)=O)c1CCC(Cc1s2)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1662 |
| logD: | 3.1637 |
| logSw: | -3.7318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.965 |
| InChI Key: | KECVDRKJJCEZTJ-LLVKDONJSA-N |