N-[(4-methylphenyl)methyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
N-[(4-methylphenyl)methyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D691-0058 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 313.38 |
| Molecular Formula: | C15 H15 N5 O S |
| Smiles: | Cc1ccc(CNC(CSc2c3c(ncn2)[nH]cn3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.5517 |
| logD: | 1.5515 |
| logSw: | -2.3503 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.006 |
| InChI Key: | MMTXNCSQCCAHGF-UHFFFAOYSA-N |