N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-1-benzylpiperidin-4-amine
Chemical Structure Depiction of
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-1-benzylpiperidin-4-amine
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-1-benzylpiperidin-4-amine
Compound characteristics
| Compound ID: | E958-1480 |
| Compound Name: | N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-1-benzylpiperidin-4-amine |
| Molecular Weight: | 450.65 |
| Molecular Formula: | C25 H34 N6 S |
| Smiles: | C1CCCN(CC1)c1nnc(n2cccc2CNC2CCN(CC2)Cc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4317 |
| logD: | 3.4809 |
| logSw: | -4.174 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.508 |
| InChI Key: | NVAPRBXSQOVFIE-UHFFFAOYSA-N |