N-(5-chloro-2-methoxyphenyl)-2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(5-chloro-2-methoxyphenyl)-2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J095-0255 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 393.85 |
| Molecular Formula: | C16 H16 Cl N5 O3 S |
| Smiles: | CC1NC(c2c(N=1)n(C)c(n2)SCC(Nc1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8912 |
| logD: | 1.8878 |
| logSw: | -3.0174 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.494 |
| InChI Key: | ZCJJIUVWDRURTQ-UHFFFAOYSA-N |