8-{[(4-chlorophenyl)methyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Chemical Structure Depiction of
8-{[(4-chlorophenyl)methyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
8-{[(4-chlorophenyl)methyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one
Compound characteristics
| Compound ID: | J095-0286 |
| Compound Name: | 8-{[(4-chlorophenyl)methyl]sulfanyl}-2,9-dimethyl-1,9-dihydro-6H-purin-6-one |
| Molecular Weight: | 320.8 |
| Molecular Formula: | C14 H13 Cl N4 O S |
| Smiles: | CC1NC(c2c(N=1)n(C)c(n2)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5576 |
| logD: | 2.5567 |
| logSw: | -3.4254 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.412 |
| InChI Key: | NLECUHJVDPKCRC-UHFFFAOYSA-N |