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-(3-methoxypropyl)-3-methylbutanamide
Chemical Structure Depiction of
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-(3-methoxypropyl)-3-methylbutanamide
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-(3-methoxypropyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V001-6513 |
| Compound Name: | 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-(3-methoxypropyl)-3-methylbutanamide |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C29 H36 N4 O5 |
| Smiles: | CCN1C2CN(C(C(C)C)C(NCCCOC)=O)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6782 |
| logD: | 3.6732 |
| logSw: | -3.8962 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.476 |
| InChI Key: | KBUZXDHRJAOGFV-UHFFFAOYSA-N |