{4-[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl}(5-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}(5-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}(5-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S352-0304 |
| 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}(5-methylthiophen-2-yl)methanone |
| Molecular Weight: | 471.96 |
| Molecular Formula: | C22 H22 Cl N5 O3 S |
| Smiles: | Cc1ccc(C(N2CCN(CC2)C(c2c3COC(Cn3nn2)c2ccc(cc2)[Cl])=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6854 |
| logD: | 2.6854 |
| logSw: | -3.5781 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.882 |
| InChI Key: | JLJWYIGIOGRWQF-SFHVURJKSA-N |