2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Chemical Structure Depiction of
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | Y500-3104 |
| Compound Name: | 2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C19 H22 Cl N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(Cn1cc(c(C)n1)[Cl])=O)=O)c1CCCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.8616 |
| logD: | 2.8615 |
| logSw: | -3.7192 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.857 |
| InChI Key: | NVMJCVWKQJJYKP-UHFFFAOYSA-N |