6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V021-7494 |
| Compound Name: | 6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methoxyphenyl)-1-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | CN1C2CN(Cc3ccc4c(c3)OCO4)C(C=2C(c2ccc(cc2)OC)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0072 |
| logD: | 2.0027 |
| logSw: | -2.8708 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.161 |
| InChI Key: | ZFIPOBWYYPTMOX-FQEVSTJZSA-N |