{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1-{3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl}piperidin-4-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1-{3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl}piperidin-4-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1-{3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl}piperidin-4-yl)methanone
Compound characteristics
| Compound ID: | V008-2317 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(1-{3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl}piperidin-4-yl)methanone |
| Molecular Weight: | 523.63 |
| Molecular Formula: | C27 H30 F N5 O3 S |
| Salt: | not_available |
| Smiles: | C1CN(CCC1C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)c1nc(Cc2ccc(cc2)F)ns1 |
| Stereo: | ACHIRAL |
| logP: | 3.9862 |
| logD: | 3.5178 |
| logSw: | -4.1331 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.347 |
| InChI Key: | KUBABJCCCJMZSW-UHFFFAOYSA-N |