N-(3-chlorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(3-chlorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J095-0098 |
| Compound Name: | N-(3-chlorophenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 349.8 |
| Molecular Formula: | C14 H12 Cl N5 O2 S |
| Smiles: | Cn1c2c(C(NC=N2)=O)nc1SCC(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7069 |
| logD: | 1.7063 |
| logSw: | -2.8192 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.662 |
| InChI Key: | XPKPAHVZVYXLLQ-UHFFFAOYSA-N |