8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-methyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-methyl-1,9-dihydro-6H-purin-6-one
8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-methyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0059 |
| Compound Name: | 8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-methyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 432.3 |
| Molecular Formula: | C17 H14 Br N5 O2 S |
| Smiles: | Cc1c(CSc2nc3C(NC=Nc3n2C)=O)nc(c2cccc(c2)[Br])o1 |
| Stereo: | ACHIRAL |
| logP: | 2.9561 |
| logD: | 2.9549 |
| logSw: | -3.4162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.634 |
| InChI Key: | RDRGBCSDPFGTRN-UHFFFAOYSA-N |