N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3S)-1,2-dithiolan-3-yl]pentanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3S)-1,2-dithiolan-3-yl]pentanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3S)-1,2-dithiolan-3-yl]pentanamide
Compound characteristics
| Compound ID: | Y043-2973 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3S)-1,2-dithiolan-3-yl]pentanamide |
| Molecular Weight: | 339.47 |
| Molecular Formula: | C16 H21 N O3 S2 |
| Smiles: | C(CC[C@H]1CCSS1)CC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2338 |
| logD: | 3.2338 |
| logSw: | -3.3254 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.112 |
| InChI Key: | VNUQWUUALQODGY-ZDUSSCGKSA-N |