3-benzyl-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
3-benzyl-10-(4-ethoxyphenyl)-1-methyl-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
3-benzyl-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: | 8255-0999 |
| Compound Name: | 3-benzyl-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: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | CCOc1ccc(cc1)N1CCCCn2c3C(N(Cc4ccccc4)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5931 |
| logD: | 4.5929 |
| logSw: | -4.2032 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.237 |
| InChI Key: | LVJLUGRBBNHBHS-UHFFFAOYSA-N |