1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]methanamine
Chemical Structure Depiction of
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]methanamine
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-1475 |
| Compound Name: | 1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-methoxyphenyl)methyl]methanamine |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C21 H27 N5 O S |
| Smiles: | COc1ccccc1CNCc1cccn1c1nnc(N2CCCCCC2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4585 |
| logD: | 4.3585 |
| logSw: | -4.2364 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.082 |
| InChI Key: | CMVVGFYOPPXQPF-UHFFFAOYSA-N |