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]-N-methyl-3-phenylpropanamide
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]-N-methyl-3-phenylpropanamide
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]-N-methyl-3-phenylpropanamide
Compound characteristics
Compound ID: | V025-8011 |
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]-N-methyl-3-phenylpropanamide |
Molecular Weight: | 600.72 |
Molecular Formula: | C37 H36 N4 O4 |
Smiles: | CCN1C2CN(C(Cc3ccccc3)C(N(C)Cc3ccccc3)=O)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 6.2343 |
logD: | 6.2293 |
logSw: | -5.517 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.451 |
InChI Key: | DXGMQSFJURIORQ-UHFFFAOYSA-N |