N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1498 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(CCCN1C(c2ccccc2S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5805 |
| logD: | 1.5805 |
| logSw: | -2.6162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.063 |
| InChI Key: | KSAHQDFUHSPOIQ-AWEZNQCLSA-N |