1-(3-nitrophenyl)-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3-nitrophenyl)-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one
1-(3-nitrophenyl)-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8008-3851 |
| Compound Name: | 1-(3-nitrophenyl)-2-[(9H-purin-6-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 315.31 |
| Molecular Formula: | C13 H9 N5 O3 S |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)Sc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 1.7551 |
| logD: | 1.755 |
| logSw: | -2.4661 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.163 |
| InChI Key: | KLEVHZCVRNHZSM-UHFFFAOYSA-N |