2-[4-(3-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-methyl-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-[4-(3-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-methyl-N-(propan-2-yl)acetamide
2-[4-(3-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-methyl-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | V007-3320 |
| Compound Name: | 2-[4-(3-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-methyl-N-(propan-2-yl)acetamide |
| Molecular Weight: | 416.91 |
| Molecular Formula: | C21 H25 Cl N4 O3 |
| Smiles: | CC(C)N(C)C(CN1CC2=C(C(c3cccc(c3)[Cl])NC(N2CC=C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0993 |
| logD: | 2.0803 |
| logSw: | -3.1802 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.432 |
| InChI Key: | NMEHOQHNFRWBRY-LJQANCHMSA-N |