{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-chloro-6-methyl-1-benzothiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-chloro-6-methyl-1-benzothiophen-2-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-chloro-6-methyl-1-benzothiophen-2-yl)methanone
Compound characteristics
| Compound ID: | Y200-6821 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-chloro-6-methyl-1-benzothiophen-2-yl)methanone |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C22 H21 Cl N2 O3 S |
| Smiles: | Cc1ccc2c(c(C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)sc2c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7833 |
| logD: | 4.5985 |
| logSw: | -4.9699 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.289 |
| InChI Key: | NLTGOVNXSJDVAL-UHFFFAOYSA-N |