7-[(3-bromophenyl)methyl]-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-bromophenyl)methyl]-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3-bromophenyl)methyl]-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-1740 |
| Compound Name: | 7-[(3-bromophenyl)methyl]-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 479.44 |
| Molecular Formula: | C21 H27 Br N4 O2 S |
| Smiles: | CCCCCCCCSc1nc2c(C(NC(N2C)=O)=O)n1Cc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.8608 |
| logD: | 6.8608 |
| logSw: | -5.6377 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.2 |
| InChI Key: | NMZUGOFYXPZJRW-UHFFFAOYSA-N |