N-(5-chloro-2-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(5-chloro-2-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J095-0087 |
| Compound Name: | N-(5-chloro-2-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(cc1NC(CSc1nc2C(NC=Nc2n1C)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.4105 |
| logD: | 1.4099 |
| logSw: | -2.9156 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.964 |
| InChI Key: | OXOUBKJBCUXTKQ-UHFFFAOYSA-N |