6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(2,4-dichlorophenyl)-1-ethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(2,4-dichlorophenyl)-1-ethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(2,4-dichlorophenyl)-1-ethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V013-8423 |
| Compound Name: | 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(2,4-dichlorophenyl)-1-ethyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 541.48 |
| Molecular Formula: | C28 H30 Cl2 N4 O3 |
| Smiles: | CCN1C2CN(CC(N3CCC(CC3)Cc3ccccc3)=O)C(C=2C(c2ccc(cc2[Cl])[Cl])NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9021 |
| logD: | 4.8617 |
| logSw: | -4.9722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.582 |
| InChI Key: | XLCPICANXOOJFN-AREMUKBSSA-N |