N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J095-0188 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 379.82 |
| Molecular Formula: | C15 H14 Cl N5 O3 S |
| Smiles: | Cn1c2c(C(NC=N2)=O)nc1SCC(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.464 |
| logD: | 1.4634 |
| logSw: | -2.8273 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.292 |
| InChI Key: | URCCKBMTYIBAAH-UHFFFAOYSA-N |