N-(4-methylphenyl)-4-{[(9H-purin-6-yl)sulfanyl]methyl}benzamide
Chemical Structure Depiction of
N-(4-methylphenyl)-4-{[(9H-purin-6-yl)sulfanyl]methyl}benzamide
N-(4-methylphenyl)-4-{[(9H-purin-6-yl)sulfanyl]methyl}benzamide
Compound characteristics
| Compound ID: | 7283-0958 |
| Compound Name: | N-(4-methylphenyl)-4-{[(9H-purin-6-yl)sulfanyl]methyl}benzamide |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C20 H17 N5 O S |
| Smiles: | Cc1ccc(cc1)NC(c1ccc(CSc2c3c(ncn2)[nH]cn3)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0259 |
| logD: | 3.0258 |
| logSw: | -3.3873 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.626 |
| InChI Key: | UCAPDGIKEBOYJR-UHFFFAOYSA-N |