2-(4-ethoxyphenyl)-1-{4-[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-1-{4-[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}ethan-1-one
2-(4-ethoxyphenyl)-1-{4-[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S352-0823 |
| Compound Name: | 2-(4-ethoxyphenyl)-1-{4-[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C27 H31 N5 O4 |
| Smiles: | CCOc1ccc(CC(N2CCN(CC2)C(c2c3COC(Cn3nn2)c2ccc(C)cc2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3901 |
| logD: | 2.3901 |
| logSw: | -2.5056 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.46 |
| InChI Key: | GYJJBYIMKPFXPB-XMMPIXPASA-N |