3-butyl-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-butyl-10-(4-ethoxyphenyl)-1-methyl-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
3-butyl-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: | 8255-0989 |
| Compound Name: | 3-butyl-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: | 411.5 |
| Molecular Formula: | C22 H29 N5 O3 |
| Smiles: | CCCCN1C(c2c(nc3N(CCCCn23)c2ccc(cc2)OCC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3097 |
| logD: | 4.3097 |
| logSw: | -3.9297 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.487 |
| InChI Key: | FEJAGJKSSXUBLH-UHFFFAOYSA-N |