4-chloro-1-methyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-1-methyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
4-chloro-1-methyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-1283 |
| Compound Name: | 4-chloro-1-methyl-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 473.9 |
| Molecular Formula: | C19 H19 Cl F3 N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1c(c(C(F)(F)F)nn1C)[Cl])=O)=O)c1CCCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.4957 |
| logD: | 3.4834 |
| logSw: | -4.8234 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.003 |
| InChI Key: | AYTCPBDWZCTCPY-UHFFFAOYSA-N |