2-(8-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl acetate
Chemical Structure Depiction of
2-(8-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl acetate
2-(8-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl acetate
Compound characteristics
| Compound ID: | 8016-2007 |
| Compound Name: | 2-(8-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl acetate |
| Molecular Weight: | 507.3 |
| Molecular Formula: | C19 H19 Br N6 O6 |
| Smiles: | CC(=O)OCCn1c2C(N(C)C(N(C)c2nc1N/N=C/c1cc2c(cc1[Br])OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0775 |
| logD: | 3.0775 |
| logSw: | -3.1072 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.264 |
| InChI Key: | NMWYZSJBOPVTJX-UHFFFAOYSA-N |