butyl [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
butyl [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
butyl [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: | 7742-0246 |
| Compound Name: | butyl [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: | 469.54 |
| Molecular Formula: | C24 H31 N5 O5 |
| Smiles: | CCCCOC(CN1C(c2c(nc3N(CCCCn23)c2ccc(cc2)OCC)N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8968 |
| logD: | 3.8967 |
| logSw: | -3.7316 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.962 |
| InChI Key: | JZTXEUMLCCLLGR-UHFFFAOYSA-N |