N-[6-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1,3-benzothiazol-2-yl]propanamide
Chemical Structure Depiction of
N-[6-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1,3-benzothiazol-2-yl]propanamide
N-[6-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1,3-benzothiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | F223-0701 |
| Compound Name: | N-[6-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-1,3-benzothiazol-2-yl]propanamide |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | CCC(Nc1nc2ccc(CC(NCc3ccc4c(c3)OCO4)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0125 |
| logD: | 3.0125 |
| logSw: | -3.2829 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.465 |
| InChI Key: | IUCLTSQMINRMSB-UHFFFAOYSA-N |