7-[(4-bromophenyl)methyl]-8-(butylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-bromophenyl)methyl]-8-(butylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-bromophenyl)methyl]-8-(butylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8014-9427 |
| Compound Name: | 7-[(4-bromophenyl)methyl]-8-(butylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 437.36 |
| Molecular Formula: | C18 H21 Br N4 O2 S |
| Smiles: | CCCCSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2309 |
| logD: | 5.2309 |
| logSw: | -4.9623 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.286 |
| InChI Key: | WDCWEQXMZCEUPU-UHFFFAOYSA-N |