3-(azepan-1-yl)-N-({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propan-1-amine
Chemical Structure Depiction of
3-(azepan-1-yl)-N-({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propan-1-amine
3-(azepan-1-yl)-N-({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propan-1-amine
Compound characteristics
Compound ID: | E958-1420 |
Compound Name: | 3-(azepan-1-yl)-N-({1-[5-(morpholin-4-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propan-1-amine |
Molecular Weight: | 404.58 |
Molecular Formula: | C20 H32 N6 O S |
Smiles: | C1CCCN(CC1)CCCNCc1cccn1c1nnc(N2CCOCC2)s1 |
Stereo: | ACHIRAL |
logP: | 2.2533 |
logD: | 0.1784 |
logSw: | -2.4118 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.184 |
InChI Key: | OQHGEHSZMFRUIW-UHFFFAOYSA-N |