N-benzyl-2-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
Chemical Structure Depiction of
N-benzyl-2-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
N-benzyl-2-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
Compound characteristics
| Compound ID: | V004-2312 |
| Compound Name: | N-benzyl-2-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide |
| Molecular Weight: | 586.13 |
| Molecular Formula: | C33 H36 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | CN(C)CCN(Cc1ccccc1)C(C(Cc1ccccc1)N1CC2=C(C(c3ccc(cc3)[Cl])NC(N2C)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1689 |
| logD: | 3.3938 |
| logSw: | -4.7477 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.648 |
| InChI Key: | RKQSIIXGRIRTMC-UHFFFAOYSA-N |