N-(2-chloro-4-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(2-chloro-4-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J095-0031 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 363.82 |
| Molecular Formula: | C15 H14 Cl N5 O2 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CSc1nc2C(NC=Nc2n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6772 |
| logD: | 1.6766 |
| logSw: | -2.7686 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.964 |
| InChI Key: | LWWCBDJAUWTGKM-UHFFFAOYSA-N |