10-(4-ethylphenyl)-1-methyl-3-[(4-methylphenyl)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-ethylphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
10-(4-ethylphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | 8255-1012 |
| Compound Name: | 10-(4-ethylphenyl)-1-methyl-3-[(4-methylphenyl)methyl]-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C26 H29 N5 O2 |
| Smiles: | CCc1ccc(cc1)N1CCCCn2c3C(N(Cc4ccc(C)cc4)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5782 |
| logD: | 5.578 |
| logSw: | -5.1625 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.114 |
| InChI Key: | ALFHVOXHQVNKTK-UHFFFAOYSA-N |