N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-propanamido-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-propanamido-1,3-benzothiazol-6-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-propanamido-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | F222-1166 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-propanamido-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CCC(Nc1nc2ccc(CCC(NCc3ccc4c(c3)OCO4)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4361 |
| logD: | 3.4361 |
| logSw: | -3.7822 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.465 |
| InChI Key: | UFXLDYCJNNBTKW-UHFFFAOYSA-N |