N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-propylacetamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-propylacetamide
N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V010-7477 |
| Compound Name: | N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-propylacetamide |
| Molecular Weight: | 478.38 |
| Molecular Formula: | C22 H25 Cl2 N5 O3 |
| Smiles: | CCCN(CCC#N)C(CN1CC2=C(C(c3ccc(cc3[Cl])[Cl])NC(N2CC)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4432 |
| logD: | 2.4028 |
| logSw: | -3.4565 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.137 |
| InChI Key: | WPUMVLUBYYBAPH-HXUWFJFHSA-N |