8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-2711 |
| Compound Name: | 8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 433.47 |
| Molecular Formula: | C23 H23 N5 O4 |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2NCc2ccc3c(c2)OCO3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9012 |
| logD: | 3.9008 |
| logSw: | -3.8669 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.962 |
| InChI Key: | OISSZYYBNWENRO-UHFFFAOYSA-N |