7-(2-hydroxyethyl)-1,3-dimethyl-8-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(2-hydroxyethyl)-1,3-dimethyl-8-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
7-(2-hydroxyethyl)-1,3-dimethyl-8-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-7108 |
| Compound Name: | 7-(2-hydroxyethyl)-1,3-dimethyl-8-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 387.35 |
| Molecular Formula: | C16 H17 N7 O5 |
| Smiles: | CN1C(c2c(nc(N/N=C/c3ccc(cc3)[N+]([O-])=O)n2CCO)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7804 |
| logD: | 1.7804 |
| logSw: | -2.2771 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.036 |
| InChI Key: | KERRDMUMOLTXIG-UHFFFAOYSA-N |