6-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-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-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-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: | V008-5680 |
| Compound Name: | 6-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-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: | 529.6 |
| Molecular Formula: | C29 H31 N5 O5 |
| Smiles: | CC(N1CCN(CC1)C(CN1CC2=C(C(c3cccc(c3)Oc3ccccc3)NC(N2CC=C)=O)C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9759 |
| logD: | 1.9698 |
| logSw: | -2.5871 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.051 |
| InChI Key: | NCSXJPFKQCIZAI-MHZLTWQESA-N |