N-[6-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide
Chemical Structure Depiction of
N-[6-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide
N-[6-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | F222-0726 |
| Compound Name: | N-[6-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-1,3-benzothiazol-2-yl]butanamide |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Smiles: | CCCC(Nc1nc2ccc(CCC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7805 |
| logD: | 3.4363 |
| logSw: | -3.8332 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.926 |
| InChI Key: | HXLWFQSSNSOERJ-UHFFFAOYSA-N |