2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethan-1-one
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
Compound ID: | Y020-0087 |
Compound Name: | 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethan-1-one |
Molecular Weight: | 374.53 |
Molecular Formula: | C18 H22 N4 O S2 |
Smiles: | CC1=CC(C)(C)N(C(CSc2nnc(N)s2)=O)c2cc(C)c(C)cc12 |
Stereo: | ACHIRAL |
logP: | 4.0382 |
logD: | 4.0382 |
logSw: | -4.3828 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.46 |
InChI Key: | GFRBEVJGVMCGCJ-UHFFFAOYSA-N |