N-benzyl-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-benzyl-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methylbutanamide
N-benzyl-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | V004-4675 |
| Compound Name: | N-benzyl-2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methylbutanamide |
| Molecular Weight: | 538.65 |
| Molecular Formula: | C32 H34 N4 O4 |
| Smiles: | CCN1C2CN(C(C(C)C)C(NCc3ccccc3)=O)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7459 |
| logD: | 4.7408 |
| logSw: | -4.4569 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.021 |
| InChI Key: | JWQCHYHXEKVZFN-UHFFFAOYSA-N |