N-(3-chloro-2-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(3-chloro-2-methylphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J095-0011 |
| Compound Name: | N-(3-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: | Cc1c(cccc1[Cl])NC(CSc1nc2C(NC=Nc2n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7607 |
| logD: | 1.7601 |
| logSw: | -2.6574 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.964 |
| InChI Key: | JFRZOWFDKVTWRL-UHFFFAOYSA-N |