1-(4-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
1-(4-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]piperazin-1-yl}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | S368-0058 |
| Compound Name: | 1-(4-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbonyl]piperazin-1-yl}phenyl)ethan-1-one |
| Molecular Weight: | 464.95 |
| Molecular Formula: | C25 H25 Cl N4 O3 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(c1cc2COC(Cn2n1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1016 |
| logD: | 3.1016 |
| logSw: | -3.6422 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.717 |
| InChI Key: | IYGSFOQBHVKIRS-DEOSSOPVSA-N |