N-benzyl-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-benzyl-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-benzyl-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: | V025-3489 |
| Compound Name: | N-benzyl-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: | 541.05 |
| Molecular Formula: | C31 H29 Cl N4 O3 |
| Smiles: | C=CCN1C2CN(C(Cc3ccccc3)C(NCc3ccccc3)=O)C(C=2C(c2ccc(cc2)[Cl])NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6793 |
| logD: | 4.6309 |
| logSw: | -5.2064 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.219 |
| InChI Key: | SXANNTUSUMHNAP-UHFFFAOYSA-N |