4-(3-chlorophenyl)-6-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
4-(3-chlorophenyl)-6-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
4-(3-chlorophenyl)-6-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V007-1081 |
| Compound Name: | 4-(3-chlorophenyl)-6-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-1-(prop-2-en-1-yl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 534.06 |
| Molecular Formula: | C29 H32 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | C=CCN1C2CN(CC(N3CCN(CCc4ccccc4)CC3)=O)C(C=2C(c2cccc(c2)[Cl])NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8665 |
| logD: | 2.8172 |
| logSw: | -3.5884 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.626 |
| InChI Key: | TVNJMSCHTPSMAL-HHHXNRCGSA-N |