10-(4-ethoxyphenyl)-1-methyl-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
Chemical Structure Depiction of
10-(4-ethoxyphenyl)-1-methyl-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
10-(4-ethoxyphenyl)-1-methyl-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | 7742-0245 |
| Compound Name: | 10-(4-ethoxyphenyl)-1-methyl-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C18 H21 N5 O3 |
| Smiles: | CCOc1ccc(cc1)N1CCCCn2c3C(NC(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8552 |
| logD: | 2.855 |
| logSw: | -3.3356 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.188 |
| InChI Key: | OQLGXQHUIFOTLM-UHFFFAOYSA-N |