7-(3-chlorobut-2-en-1-yl)-3-methyl-8-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(3-chlorobut-2-en-1-yl)-3-methyl-8-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
7-(3-chlorobut-2-en-1-yl)-3-methyl-8-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 1029-0497 |
| Compound Name: | 7-(3-chlorobut-2-en-1-yl)-3-methyl-8-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 417.81 |
| Molecular Formula: | C17 H16 Cl N7 O4 |
| Smiles: | C/C(=C/Cn1c2C(NC(N(C)c2nc1N/N=C/c1ccc(cc1)[N+]([O-])=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3894 |
| logD: | 3.3873 |
| logSw: | -4.1006 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.294 |
| InChI Key: | PPTYIGKHTOOGDJ-UHFFFAOYSA-N |