6-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V008-5702 |
| Compound Name: | 6-[3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 514.62 |
| Molecular Formula: | C30 H34 N4 O4 |
| Smiles: | CC(C)C(C(N1CCCC1)=O)N1CC2=C(C(c3cccc(c3)Oc3ccccc3)NC(N2CC=C)=O)C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5465 |
| logD: | 4.5404 |
| logSw: | -4.3096 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.875 |
| InChI Key: | HNTKOCWBZPGSMF-UHFFFAOYSA-N |