2,9-dimethyl-8-{[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
2,9-dimethyl-8-{[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
2,9-dimethyl-8-{[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0380 |
| Compound Name: | 2,9-dimethyl-8-{[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]sulfanyl}-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C21 H23 N5 O3 S |
| Smiles: | CC(C)Oc1ccc(cc1)c1nc(CSc2nc3C(NC(C)=Nc3n2C)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.539 |
| logD: | 3.5224 |
| logSw: | -3.7526 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.337 |
| InChI Key: | DZQHJSGGXCUACQ-UHFFFAOYSA-N |