2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
Compound ID: | D549-0226 |
Compound Name: | 2-{[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
Molecular Weight: | 458.6 |
Molecular Formula: | C21 H26 N6 O2 S2 |
Smiles: | C1CCC(CC1)n1c(c2c(c3cccnc3s2)N)nnc1SCC(N1CCOCC1)=O |
Stereo: | ACHIRAL |
logP: | 2.6305 |
logD: | 2.6289 |
logSw: | -2.7568 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.385 |
InChI Key: | MRBQTVLBDPEGPO-UHFFFAOYSA-N |