{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}(3-methylthiophen-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}(3-methylthiophen-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}(3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S352-0298 |
| 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}(3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 471.96 |
| Molecular Formula: | C22 H22 Cl N5 O3 S |
| Smiles: | Cc1ccsc1C(N1CCN(CC1)C(c1c2COC(Cn2nn1)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4154 |
| logD: | 2.4154 |
| logSw: | -3.0955 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.882 |
| InChI Key: | ILKRXJHVYBLDPH-SFHVURJKSA-N |