N-(3,5-dimethylphenyl)-4-{[(9H-purin-6-yl)sulfanyl]methyl}benzamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-4-{[(9H-purin-6-yl)sulfanyl]methyl}benzamide
N-(3,5-dimethylphenyl)-4-{[(9H-purin-6-yl)sulfanyl]methyl}benzamide
Compound characteristics
| Compound ID: | 7283-0961 |
| Compound Name: | N-(3,5-dimethylphenyl)-4-{[(9H-purin-6-yl)sulfanyl]methyl}benzamide |
| Molecular Weight: | 389.48 |
| Molecular Formula: | C21 H19 N5 O S |
| Smiles: | Cc1cc(C)cc(c1)NC(c1ccc(CSc2c3c(ncn2)[nH]cn3)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2955 |
| logD: | 3.2953 |
| logSw: | -3.4506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.626 |
| InChI Key: | LJQVCDXOWIWODL-UHFFFAOYSA-N |