1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-ethoxyphenyl)methyl]methanamine
Chemical Structure Depiction of
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-ethoxyphenyl)methyl]methanamine
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-ethoxyphenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-1505 |
| Compound Name: | 1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-ethoxyphenyl)methyl]methanamine |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C22 H29 N5 O S |
| Smiles: | CCOc1ccccc1CNCc1cccn1c1nnc(N2CCCCCC2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8466 |
| logD: | 4.4757 |
| logSw: | -4.4379 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.661 |
| InChI Key: | ZQBMEFDZZINLKK-UHFFFAOYSA-N |