1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D629-0178 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | Cc1ccc(cc1)OCc1nc(CC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)cs1 |
| Stereo: | ACHIRAL |
| logP: | 3.8724 |
| logD: | 3.5546 |
| logSw: | -3.8676 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.239 |
| InChI Key: | JAZODKJJMKNPCV-UHFFFAOYSA-N |