1,3-dimethyl-7-[2-oxo-2-(2-phenyl-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-[2-oxo-2-(2-phenyl-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-[2-oxo-2-(2-phenyl-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | P218-3926 |
| Compound Name: | 1,3-dimethyl-7-[2-oxo-2-(2-phenyl-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 433.47 |
| Molecular Formula: | C22 H23 N7 O3 |
| Smiles: | CN1C(c2c(ncn2CC(N2CCCn3c(C2)cc(c2ccccc2)n3)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0723 |
| logD: | 1.0723 |
| logSw: | -1.9892 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.883 |
| InChI Key: | BGEHDPGHMDWXGU-UHFFFAOYSA-N |