1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine
Chemical Structure Depiction of
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine
Compound characteristics
| Compound ID: | E958-1512 |
| Compound Name: | 1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}methanamine |
| Molecular Weight: | 413.61 |
| Molecular Formula: | C21 H27 N5 S2 |
| Smiles: | CSc1ccc(CNCc2cccn2c2nnc(N3CCCCCC3)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9912 |
| logD: | 4.9446 |
| logSw: | -4.4407 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.451 |
| InChI Key: | HAZDQDIKZDOZJE-UHFFFAOYSA-N |