{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}(2,4-dimethylphenyl)methanone
Chemical Structure Depiction of
{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}(2,4-dimethylphenyl)methanone
{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}(2,4-dimethylphenyl)methanone
Compound characteristics
| Compound ID: | S352-0302 |
| Compound Name: | {4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}(2,4-dimethylphenyl)methanone |
| Molecular Weight: | 479.97 |
| Molecular Formula: | C25 H26 Cl N5 O3 |
| Smiles: | Cc1ccc(C(N2CCN(CC2)C(c2c3COC(Cn3nn2)c2ccc(cc2)[Cl])=O)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9378 |
| logD: | 2.9378 |
| logSw: | -3.5245 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.864 |
| InChI Key: | SZAMXPMOWWRIOE-QFIPXVFZSA-N |