2-(2-methylphenyl)-1-[4-(6-phenyl-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-(2-methylphenyl)-1-[4-(6-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl)piperazin-1-yl]ethan-1-one
2-(2-methylphenyl)-1-[4-(6-phenyl-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: | S352-0066 |
| Compound Name: | 2-(2-methylphenyl)-1-[4-(6-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | Cc1ccccc1CC(N1CCN(CC1)C(c1c2COC(Cn2nn1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3589 |
| logD: | 2.3589 |
| logSw: | -2.4042 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.337 |
| InChI Key: | KPMQZGSGGCBSCB-JOCHJYFZSA-N |