4-{4-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-4-oxobutyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{4-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-4-oxobutyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{4-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-4-oxobutyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | P218-3445 |
| Compound Name: | 4-{4-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-4-oxobutyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C27 H30 N4 O4 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(N1CCCn3c(C1)cc(c1ccc(cc1)OC)n3)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8973 |
| logD: | 2.8973 |
| logSw: | -3.2604 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.513 |
| InChI Key: | IEYNKFCZIXKPCJ-UHFFFAOYSA-N |