N-[4-(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Chemical Structure Depiction of
N-[4-(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
N-[4-(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | D291-0247 |
| Compound Name: | N-[4-(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide |
| Molecular Weight: | 413.46 |
| Molecular Formula: | C18 H19 N7 O3 S |
| Smiles: | CC(Nc1c(c2nnc(n2C)SCC(N2CCCc3ccccc23)=O)non1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8566 |
| logD: | 1.8519 |
| logSw: | -2.3048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.398 |
| InChI Key: | XBDHOWKUGCLPEJ-UHFFFAOYSA-N |