4-(2-chlorophenyl)-1-methyl-6-(2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
4-(2-chlorophenyl)-1-methyl-6-(2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
4-(2-chlorophenyl)-1-methyl-6-(2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V004-3324 |
| Compound Name: | 4-(2-chlorophenyl)-1-methyl-6-(2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}-2-oxoethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 508.02 |
| Molecular Formula: | C27 H30 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN2CCN(CC2)C(CN2CC3=C(C(c4ccccc4[Cl])NC(N3C)=O)C2=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2454 |
| logD: | 2.1511 |
| logSw: | -3.0963 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.435 |
| InChI Key: | RVOKGKBLFXGCMG-RUZDIDTESA-N |