7-{2-[2-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-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: | P218-3459 |
| Compound Name: | 7-{2-[2-(4-methoxyphenyl)-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: | 463.5 |
| Molecular Formula: | C23 H25 N7 O4 |
| Smiles: | CN1C(c2c(ncn2CC(N2CCCn3c(C2)cc(c2ccc(cc2)OC)n3)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1597 |
| logD: | 1.1597 |
| logSw: | -2.0634 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.427 |
| InChI Key: | CTIULFGCPVLDNQ-UHFFFAOYSA-N |