8-({1-[(4-methoxy-3-nitrophenyl)methyl]-1H-1,2,4-triazol-3-yl}sulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-({1-[(4-methoxy-3-nitrophenyl)methyl]-1H-1,2,4-triazol-3-yl}sulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-({1-[(4-methoxy-3-nitrophenyl)methyl]-1H-1,2,4-triazol-3-yl}sulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8012-8662 |
| Compound Name: | 8-({1-[(4-methoxy-3-nitrophenyl)methyl]-1H-1,2,4-triazol-3-yl}sulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.45 |
| Molecular Formula: | C18 H18 N8 O5 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2ncn(Cc3ccc(c(c3)[N+]([O-])=O)OC)n2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9127 |
| logD: | 1.9126 |
| logSw: | -2.7071 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 107.617 |
| InChI Key: | SNUOIERUYYRSFI-UHFFFAOYSA-N |