1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-fluorophenyl)methyl]methanamine
Chemical Structure Depiction of
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-fluorophenyl)methyl]methanamine
1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-fluorophenyl)methyl]methanamine
Compound characteristics
| Compound ID: | E958-1477 |
| Compound Name: | 1-{1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}-N-[(2-fluorophenyl)methyl]methanamine |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C20 H24 F N5 S |
| Smiles: | C1CCCN(CC1)c1nnc(n2cccc2CNCc2ccccc2F)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6116 |
| logD: | 4.571 |
| logSw: | -4.3462 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.451 |
| InChI Key: | BOAYMIFRIIZTSF-UHFFFAOYSA-N |