2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methyl-N-(2-methylpropyl)butanamide
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]-3-methyl-N-(2-methylpropyl)butanamide
2-[4-(2-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methyl-N-(2-methylpropyl)butanamide
Compound characteristics
| Compound ID: | V004-5083 |
| 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]-3-methyl-N-(2-methylpropyl)butanamide |
| Molecular Weight: | 432.95 |
| Molecular Formula: | C22 H29 Cl N4 O3 |
| Smiles: | CC(C)CNC(C(C(C)C)N1CC2=C(C(c3ccccc3[Cl])NC(N2C)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0143 |
| logD: | 2.9714 |
| logSw: | -3.4532 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.585 |
| InChI Key: | CJTPNBMWGIKXJA-UHFFFAOYSA-N |