1-{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}-2-phenoxypropan-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}-2-phenoxypropan-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}-2-phenoxypropan-1-one
Compound characteristics
| Compound ID: | S352-0332 |
| 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}-2-phenoxypropan-1-one |
| Molecular Weight: | 495.97 |
| Molecular Formula: | C25 H26 Cl N5 O4 |
| Smiles: | CC(C(N1CCN(CC1)C(c1c2COC(Cn2nn1)c1ccc(cc1)[Cl])=O)=O)Oc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3112 |
| logD: | 2.3112 |
| logSw: | -3.0821 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.653 |
| InChI Key: | PYGYIAZKKAPNRS-UHFFFAOYSA-N |