1-ethyl-6-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-(3-phenoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
1-ethyl-6-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-(3-phenoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
1-ethyl-6-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-(3-phenoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V003-9123 |
| Compound Name: | 1-ethyl-6-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-(3-phenoxyphenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 565.67 |
| Molecular Formula: | C33 H35 N5 O4 |
| Salt: | not_available |
| Smiles: | CCN1C2CN(C(C(N3CCN(C)CC3)=O)c3ccccc3)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9194 |
| logD: | 3.7376 |
| logSw: | -3.9953 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.461 |
| InChI Key: | XDGPJAFZDQUJRQ-UHFFFAOYSA-N |