1-methyl-3-(3-oxobutan-2-yl)-10-(4-phenoxyphenyl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
Chemical Structure Depiction of
1-methyl-3-(3-oxobutan-2-yl)-10-(4-phenoxyphenyl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
1-methyl-3-(3-oxobutan-2-yl)-10-(4-phenoxyphenyl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | 8255-0984 |
| Compound Name: | 1-methyl-3-(3-oxobutan-2-yl)-10-(4-phenoxyphenyl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C26 H27 N5 O4 |
| Smiles: | CC(C(C)=O)N1C(c2c(nc3N(CCCCn23)c2ccc(cc2)Oc2ccccc2)N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1257 |
| logD: | 4.1257 |
| logSw: | -4.1753 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.301 |
| InChI Key: | JZTUUOHGGKRAJU-KRWDZBQOSA-N |