1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
Chemical Structure Depiction of
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-1511 |
| Compound Name: | 1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C23 H31 N5 O2 S |
| Smiles: | CCOc1ccc(CNCc2cccn2c2nnc(N3CCCCCC3)s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2324 |
| logD: | 3.5554 |
| logSw: | -4.1285 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.292 |
| InChI Key: | BWOSABSRAYURIM-UHFFFAOYSA-N |