2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(prop-2-en-1-yl)pentanamide
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]-4-methyl-N-(prop-2-en-1-yl)pentanamide
2-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(prop-2-en-1-yl)pentanamide
Compound characteristics
| Compound ID: | V004-3307 |
| 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]-4-methyl-N-(prop-2-en-1-yl)pentanamide |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C29 H34 N4 O4 |
| Smiles: | CCN1C2CN(C(CC(C)C)C(NCC=C)=O)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3615 |
| logD: | 4.3565 |
| logSw: | -4.2823 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.098 |
| InChI Key: | CXMNFZFBBATISQ-UHFFFAOYSA-N |