N-[6-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide
Chemical Structure Depiction of
N-[6-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide
N-[6-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide
Compound characteristics
| Compound ID: | F222-0907 |
| Compound Name: | N-[6-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CC(C)C(Nc1nc2ccc(CCC(NCc3ccc4c(c3)OCO4)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0767 |
| logD: | 4.0767 |
| logSw: | -4.2053 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.678 |
| InChI Key: | GBQCCDCYWOQADP-UHFFFAOYSA-N |