4-{4-[2-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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: | P218-3724 |
| Compound Name: | 4-{4-[2-(4-fluorophenyl)-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: | 462.52 |
| Molecular Formula: | C26 H27 F N4 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(N1CCCn3c(C1)cc(c1ccc(cc1)F)n3)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.944 |
| logD: | 2.944 |
| logSw: | -3.1972 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.969 |
| InChI Key: | TVAMPHRDARRQAW-UHFFFAOYSA-N |