2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)acetamide
Chemical Structure Depiction of
2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)acetamide
2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)acetamide
Compound characteristics
| Compound ID: | V018-2118 |
| Compound Name: | 2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(1-methylpiperidin-4-yl)acetamide |
| Molecular Weight: | 457.96 |
| Molecular Formula: | C23 H28 Cl N5 O3 |
| Smiles: | CN1CCC(CC1)NC(CN1CC2=C(C(c3ccccc3[Cl])NC(N2CC=C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2168 |
| logD: | -1.3174 |
| logSw: | -2.5114 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.388 |
| InChI Key: | OZLOFYCDJSIOPN-OAQYLSRUSA-N |