N-tert-butyl-2-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
Chemical Structure Depiction of
N-tert-butyl-2-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
N-tert-butyl-2-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
Compound characteristics
| Compound ID: | V008-1704 |
| Compound Name: | N-tert-butyl-2-[4-(4-chlorophenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide |
| Molecular Weight: | 480.99 |
| Molecular Formula: | C26 H29 Cl N4 O3 |
| Smiles: | CC(C)(C)NC(C(Cc1ccccc1)N1CC2=C(C(c3ccc(cc3)[Cl])NC(N2C)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9802 |
| logD: | 3.8753 |
| logSw: | -4.6513 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.102 |
| InChI Key: | ZBKZEGIQHXXOFV-UHFFFAOYSA-N |