[4-(4-ethylbenzoyl)piperazin-1-yl][6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]methanone
Chemical Structure Depiction of
[4-(4-ethylbenzoyl)piperazin-1-yl][6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]methanone
[4-(4-ethylbenzoyl)piperazin-1-yl][6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]methanone
Compound characteristics
| Compound ID: | S352-0826 |
| Compound Name: | [4-(4-ethylbenzoyl)piperazin-1-yl][6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]methanone |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C26 H29 N5 O3 |
| Smiles: | CCc1ccc(cc1)C(N1CCN(CC1)C(c1c2COC(Cn2nn1)c1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6724 |
| logD: | 2.6724 |
| logSw: | -2.6833 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.864 |
| InChI Key: | YYWJGJWGFKSMNR-HSZRJFAPSA-N |