4-chloro-1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-chloro-1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
4-chloro-1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-8020 |
| Compound Name: | 4-chloro-1-methyl-N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 445.85 |
| Molecular Formula: | C17 H15 Cl F3 N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1c(c(C(F)(F)F)n(C)n1)[Cl])=O)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.4767 |
| logD: | 2.4751 |
| logSw: | -3.9071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.672 |
| InChI Key: | SECOBUHEJPBJEB-UHFFFAOYSA-N |