N-(3-chloro-2-methylphenyl)-2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
N-(3-chloro-2-methylphenyl)-2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J095-0252 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-[(2,9-dimethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 377.85 |
| Molecular Formula: | C16 H16 Cl N5 O2 S |
| Smiles: | CC1NC(c2c(N=1)n(C)c(n2)SCC(Nc1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4457 |
| logD: | 2.4455 |
| logSw: | -3.1546 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.864 |
| InChI Key: | ZXBZMRBNZUGNJE-UHFFFAOYSA-N |