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-methylacetamide
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-methylacetamide
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-methylacetamide
Compound characteristics
| Compound ID: | V014-5823 |
| 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-methylacetamide |
| Molecular Weight: | 374.83 |
| Molecular Formula: | C18 H19 Cl N4 O3 |
| Smiles: | CNC(CN1CC2=C(C(c3ccccc3[Cl])NC(N2CC=C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9833 |
| logD: | 0.9643 |
| logSw: | -2.4457 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.608 |
| InChI Key: | HSSQHSJOXHRMNC-MRXNPFEDSA-N |