N-tert-butyl-2-[4-(4-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]-3-phenylpropanamide
Chemical Structure Depiction of
N-tert-butyl-2-[4-(4-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]-3-phenylpropanamide
N-tert-butyl-2-[4-(4-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]-3-phenylpropanamide
Compound characteristics
| Compound ID: | V007-5544 |
| Compound Name: | N-tert-butyl-2-[4-(4-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]-3-phenylpropanamide |
| Molecular Weight: | 507.03 |
| Molecular Formula: | C28 H31 Cl N4 O3 |
| Smiles: | CC(C)(C)NC(C(Cc1ccccc1)N1CC2=C(C(c3ccc(cc3)[Cl])NC(N2CC=C)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7426 |
| logD: | 4.6943 |
| logSw: | -5.0759 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.315 |
| InChI Key: | ABQRPDWZTDAIFF-UHFFFAOYSA-N |