8-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
8-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | G754-0432 |
| Compound Name: | 8-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-9-(4-methylphenyl)-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCC(N1CCOc2ccc(C)cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1972 |
| logD: | 3.196 |
| logSw: | -3.4789 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.182 |
| InChI Key: | FHRYOKXCAQIRCV-UHFFFAOYSA-N |