2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline
Chemical Structure Depiction of
2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline
2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline
Compound characteristics
| Compound ID: | 7599-1900 |
| Compound Name: | 2-[(9-benzyl-9H-purin-6-yl)sulfanyl]aniline |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C18 H15 N5 S |
| Smiles: | C(c1ccccc1)n1cnc2c(ncnc12)Sc1ccccc1N |
| Stereo: | ACHIRAL |
| logP: | 2.9477 |
| logD: | 2.9477 |
| logSw: | -3.0212 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.818 |
| InChI Key: | OBQDUGQTGWHVMR-UHFFFAOYSA-N |