10-(4-ethoxyphenyl)-1-methyl-3-(3-phenylpropyl)-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-(3-phenylpropyl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
10-(4-ethoxyphenyl)-1-methyl-3-(3-phenylpropyl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | 8255-0986 |
| Compound Name: | 10-(4-ethoxyphenyl)-1-methyl-3-(3-phenylpropyl)-7,8,9,10-tetrahydro-1H-[1,3]diazepino[2,1-f]purine-2,4(3H,6H)-dione |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C27 H31 N5 O3 |
| Smiles: | CCOc1ccc(cc1)N1CCCCn2c3C(N(CCCc4ccccc4)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2869 |
| logD: | 5.2869 |
| logSw: | -5.1341 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.216 |
| InChI Key: | TXVJKUCRNFEQHO-UHFFFAOYSA-N |