6-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-4-(2,3-dimethoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-4-(2,3-dimethoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-4-(2,3-dimethoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V004-3361 |
| Compound Name: | 6-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-4-(2,3-dimethoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 563.61 |
| Molecular Formula: | C29 H33 N5 O7 |
| Salt: | not_available |
| Smiles: | CN1C2CN(CC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)C(C=2C(c2cccc(c2OC)OC)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9825 |
| logD: | 0.777 |
| logSw: | -2.3101 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.898 |
| InChI Key: | AALMAMOVBBTRAA-SANMLTNESA-N |