2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S336-0232 |
| Compound Name: | 2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 326.4 |
| Molecular Formula: | C18 H22 N4 O2 |
| Smiles: | C1CCC2=NN(CC(N3CCCc4ccccc34)=O)C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.317 |
| logD: | 2.317 |
| logSw: | -2.4877 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.573 |
| InChI Key: | SUGXAZPLRCNLEZ-UHFFFAOYSA-N |