{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-chloro-3-methyl-1,2-oxazol-5-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-chloro-3-methyl-1,2-oxazol-5-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-chloro-3-methyl-1,2-oxazol-5-yl)methanone
Compound characteristics
| Compound ID: | C625-0196 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-chloro-3-methyl-1,2-oxazol-5-yl)methanone |
| Molecular Weight: | 363.8 |
| Molecular Formula: | C17 H18 Cl N3 O4 |
| Smiles: | Cc1c(c(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)on1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1999 |
| logD: | 2.0124 |
| logSw: | -3.3125 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.159 |
| InChI Key: | KRMQTHMISKMHBJ-UHFFFAOYSA-N |