7-{2-[2-(4-ethoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[2-(4-ethoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-{2-[2-(4-ethoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | P218-3832 |
| Compound Name: | 7-{2-[2-(4-ethoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C24 H27 N7 O4 |
| Smiles: | CCOc1ccc(cc1)c1cc2CN(CCCn2n1)C(Cn1cnc2c1C(N(C)C(N2C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5463 |
| logD: | 1.5463 |
| logSw: | -2.1513 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.007 |
| InChI Key: | MLSJIXSTKVDUBZ-UHFFFAOYSA-N |