1-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-3-phenylpropan-1-one
Chemical Structure Depiction of
1-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-3-phenylpropan-1-one
1-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | S352-0341 |
| Compound Name: | 1-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-3-phenylpropan-1-one |
| Molecular Weight: | 479.97 |
| Molecular Formula: | C25 H26 Cl N5 O3 |
| Smiles: | C(Cc1ccccc1)C(N1CCN(CC1)C(c1c2COC(Cn2nn1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5012 |
| logD: | 2.5012 |
| logSw: | -3.0243 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.337 |
| InChI Key: | CTQUUPYSJVTTPS-QFIPXVFZSA-N |