2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methyl-N-(2-methylpropyl)butanamide
Chemical Structure Depiction of
2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methyl-N-(2-methylpropyl)butanamide
2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methyl-N-(2-methylpropyl)butanamide
Compound characteristics
| Compound ID: | V023-1430 |
| Compound Name: | 2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-methyl-N-(2-methylpropyl)butanamide |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C30 H36 N4 O4 |
| Smiles: | CC(C)CNC(C(C(C)C)N1CC2=C(C(c3cccc(c3)Oc3ccccc3)NC(N2CC=C)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8423 |
| logD: | 4.8362 |
| logSw: | -4.5184 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.546 |
| InChI Key: | QCESTYCARPKNTE-UHFFFAOYSA-N |