10-(4-ethoxyphenyl)-1-methyl-3-(2-methylpropyl)-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-3-(2-methylpropyl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
10-(4-ethoxyphenyl)-1-methyl-3-(2-methylpropyl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | 8255-0993 |
| Compound Name: | 10-(4-ethoxyphenyl)-1-methyl-3-(2-methylpropyl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H29 N5 O3 |
| Smiles: | CCOc1ccc(cc1)N1CCCCn2c3C(N(CC(C)C)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2305 |
| logD: | 4.2305 |
| logSw: | -3.9999 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.509 |
| InChI Key: | NYYFFXNIAWKHMD-UHFFFAOYSA-N |