8-{2-[2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]hydrazinyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{2-[2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]hydrazinyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{2-[2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]hydrazinyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3337-1586 |
| Compound Name: | 8-{2-[2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]hydrazinyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 431.84 |
| Molecular Formula: | C18 H18 Cl N7 O4 |
| Smiles: | CCn1c2C(N(C)C(N(C)c2nc1N/N=C\C(=C\c1ccc(cc1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0182 |
| logD: | 4.0181 |
| logSw: | -4.5901 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.127 |
| InChI Key: | KMZWXZPDRSTDCY-UHFFFAOYSA-N |