N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-phenylethan-1-amine
Chemical Structure Depiction of
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-phenylethan-1-amine
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-phenylethan-1-amine
Compound characteristics
Compound ID: | E958-1487 |
Compound Name: | N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-phenylethan-1-amine |
Molecular Weight: | 381.54 |
Molecular Formula: | C21 H27 N5 S |
Smiles: | C1CCCN(CC1)c1nnc(n2cccc2CNCCc2ccccc2)s1 |
Stereo: | ACHIRAL |
logP: | 4.0999 |
logD: | 3.9273 |
logSw: | -4.1394 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.293 |
InChI Key: | UMXIXRYCTUVVEQ-UHFFFAOYSA-N |