N~1~-cyclohexyl-N~1~-methyl-N~3~-({1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propane-1,3-diamine
Chemical Structure Depiction of
N~1~-cyclohexyl-N~1~-methyl-N~3~-({1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propane-1,3-diamine
N~1~-cyclohexyl-N~1~-methyl-N~3~-({1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propane-1,3-diamine
Compound characteristics
| Compound ID: | E958-1342 |
| Compound Name: | N~1~-cyclohexyl-N~1~-methyl-N~3~-({1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)propane-1,3-diamine |
| Molecular Weight: | 416.63 |
| Molecular Formula: | C22 H36 N6 S |
| Smiles: | CN(CCCNCc1cccn1c1nnc(N2CCCCC2)s1)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6632 |
| logD: | 1.634 |
| logSw: | -3.6609 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.999 |
| InChI Key: | DSBIMTGIBQLRFK-UHFFFAOYSA-N |