7-[(3-bromophenyl)methyl]-8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-bromophenyl)methyl]-8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3-bromophenyl)methyl]-8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0433 |
| Compound Name: | 7-[(3-bromophenyl)methyl]-8-[(4-hydroxybutan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 436.31 |
| Molecular Formula: | C18 H22 Br N5 O3 |
| Smiles: | CC(CCO)Nc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9364 |
| logD: | 2.9363 |
| logSw: | -3.2603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.215 |
| InChI Key: | UVKLEFPYGWITTK-NSHDSACASA-N |