ethyl [10-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1,2,4,6,7,8,9,10-octahydro-3H-[1,3]diazepino[2,1-f]purin-3-yl]acetate
Chemical Structure Depiction of
ethyl [10-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1,2,4,6,7,8,9,10-octahydro-3H-[1,3]diazepino[2,1-f]purin-3-yl]acetate
ethyl [10-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1,2,4,6,7,8,9,10-octahydro-3H-[1,3]diazepino[2,1-f]purin-3-yl]acetate
Compound characteristics
| Compound ID: | 8255-0998 |
| Compound Name: | ethyl [10-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1,2,4,6,7,8,9,10-octahydro-3H-[1,3]diazepino[2,1-f]purin-3-yl]acetate |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C22 H27 N5 O5 |
| Smiles: | CCOC(CN1C(c2c(nc3N(CCCCn23)c2ccc(cc2)OCC)N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0248 |
| logD: | 3.0247 |
| logSw: | -3.0815 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.668 |
| InChI Key: | JBLFFXQCOMYZFB-UHFFFAOYSA-N |