2,9-dimethyl-8-({[5-methyl-2-(3-methylphenyl)-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-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-1,9-dihydro-6H-purin-6-one
2,9-dimethyl-8-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0246 |
| Compound Name: | 2,9-dimethyl-8-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C19 H19 N5 O2 S |
| Smiles: | CC1NC(c2c(N=1)n(C)c(n2)SCc1c(C)oc(c2cccc(C)c2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1633 |
| logD: | 3.1467 |
| logSw: | -3.2514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.534 |
| InChI Key: | MKJTVDAPYXUJNV-UHFFFAOYSA-N |