8-({[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-({[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
8-({[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0389 |
| Compound Name: | 8-({[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C20 H21 N5 O2 S |
| Smiles: | CC1NC(c2c(N=1)n(C)c(n2)SCc1c(C)oc(c2cc(C)ccc2C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6405 |
| logD: | 3.6238 |
| logSw: | -3.7904 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.534 |
| InChI Key: | JWIGUZQBIOPHNJ-UHFFFAOYSA-N |