2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | C292-0463 |
| Compound Name: | 2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nnc(c2ccc3c(c2)OCCO3)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4956 |
| logD: | 2.4956 |
| logSw: | -2.8254 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.944 |
| InChI Key: | XXBXHZFAMPAVDB-UHFFFAOYSA-N |