10-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-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)-3-[(4-fluorophenyl)methyl]-1-methyl-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
10-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1-methyl-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | 8255-1001 |
| Compound Name: | 10-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methyl]-1-methyl-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C25 H26 F N5 O3 |
| Smiles: | CCOc1ccc(cc1)N1CCCCn2c3C(N(Cc4ccc(cc4)F)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6222 |
| logD: | 4.6219 |
| logSw: | -4.1747 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.237 |
| InChI Key: | VQKVSUMIJBDOBF-UHFFFAOYSA-N |