1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(pyridin-3-yl)methyl]methanamine
Chemical Structure Depiction of
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(pyridin-3-yl)methyl]methanamine
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(pyridin-3-yl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-1499 |
| Compound Name: | 1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(pyridin-3-yl)methyl]methanamine |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C19 H24 N6 S |
| Smiles: | C1CCCN(CC1)c1nnc(n2cccc2CNCc2cccnc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0442 |
| logD: | 3.0206 |
| logSw: | -2.8435 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.969 |
| InChI Key: | DZLAGGVVFWEYCD-UHFFFAOYSA-N |