1,3-dimethyl-7-{2-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-{2-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-{2-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | P218-3271 |
| Compound Name: | 1,3-dimethyl-7-{2-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 447.5 |
| Molecular Formula: | C23 H25 N7 O3 |
| Smiles: | Cc1cccc(c1)c1cc2CN(CCCn2n1)C(Cn1cnc2c1C(N(C)C(N2C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4248 |
| logD: | 1.4247 |
| logSw: | -1.8803 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.883 |
| InChI Key: | HGNLMDUZZZDFFQ-UHFFFAOYSA-N |