{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}(1H-pyrrol-2-yl)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}(1H-pyrrol-2-yl)methanone
{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}(1H-pyrrol-2-yl)methanone
Compound characteristics
| Compound ID: | S352-0344 |
| 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}(1H-pyrrol-2-yl)methanone |
| Molecular Weight: | 440.89 |
| Molecular Formula: | C21 H21 Cl N6 O3 |
| Smiles: | C1CN(CCN1C(c1c2COC(Cn2nn1)c1ccc(cc1)[Cl])=O)C(c1ccc[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4388 |
| logD: | 1.4388 |
| logSw: | -2.7635 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.93 |
| InChI Key: | KWLBTHGHIORGHT-SFHVURJKSA-N |