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-[(pyridin-3-yl)methyl]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-[(pyridin-3-yl)methyl]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-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V015-8582 |
| 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-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 451.91 |
| Molecular Formula: | C23 H22 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | C=CCN1C2CN(CC(NCc3cccnc3)=O)C(C=2C(c2ccccc2[Cl])NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6688 |
| logD: | 1.6474 |
| logSw: | -2.3587 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.704 |
| InChI Key: | GAKOTIUOFPNMBI-OAQYLSRUSA-N |