6-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine
Chemical Structure Depiction of
6-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine
6-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine
Compound characteristics
Compound ID: | D691-0053 |
Compound Name: | 6-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine |
Molecular Weight: | 402.27 |
Molecular Formula: | C16 H12 Br N5 O S |
Smiles: | Cc1c(CSc2c3c(ncn2)[nH]cn3)nc(c2cccc(c2)[Br])o1 |
Stereo: | ACHIRAL |
logP: | 3.4497 |
logD: | 3.4496 |
logSw: | -3.7416 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.657 |
InChI Key: | XABMWZYMZUZNMD-UHFFFAOYSA-N |