1-[4-(methylsulfanyl)phenyl]-N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
Chemical Structure Depiction of
1-[4-(methylsulfanyl)phenyl]-N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
1-[4-(methylsulfanyl)phenyl]-N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine
Compound characteristics
| Compound ID: | E958-1266 |
| Compound Name: | 1-[4-(methylsulfanyl)phenyl]-N-({1-[5-(4-propylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)methanamine |
| Molecular Weight: | 442.65 |
| Molecular Formula: | C22 H30 N6 S2 |
| Smiles: | CCCN1CCN(CC1)c1nnc(n2cccc2CNCc2ccc(cc2)SC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1256 |
| logD: | 3.2524 |
| logSw: | -3.8589 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.91 |
| InChI Key: | VUKJDTQJDCRJCZ-UHFFFAOYSA-N |