2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-cyanoethyl)-N-propylacetamide
Chemical Structure Depiction of
2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-cyanoethyl)-N-propylacetamide
2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-cyanoethyl)-N-propylacetamide
Compound characteristics
| Compound ID: | V004-3336 |
| Compound Name: | 2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(2-cyanoethyl)-N-propylacetamide |
| Molecular Weight: | 429.91 |
| Molecular Formula: | C21 H24 Cl N5 O3 |
| Smiles: | CCCN(CCC#N)C(CN1CC2=C(C(c3ccccc3[Cl])NC(N2C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0176 |
| logD: | 0.9747 |
| logSw: | -2.6145 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.178 |
| InChI Key: | KASDRHWVVHZZKJ-LJQANCHMSA-N |