{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}[4-(dimethylamino)phenyl]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}[4-(dimethylamino)phenyl]methanone
{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}[4-(dimethylamino)phenyl]methanone
Compound characteristics
| Compound ID: | S352-0373 |
| 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}[4-(dimethylamino)phenyl]methanone |
| Molecular Weight: | 494.98 |
| Molecular Formula: | C25 H27 Cl N6 O3 |
| Smiles: | CN(C)c1ccc(cc1)C(N1CCN(CC1)C(c1c2COC(Cn2nn1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0031 |
| logD: | 2.0031 |
| logSw: | -2.9834 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.669 |
| InChI Key: | JKEXMACCWGQIGV-QFIPXVFZSA-N |