N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-methoxyaniline
Chemical Structure Depiction of
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-methoxyaniline
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-methoxyaniline
Compound characteristics
| Compound ID: | E958-1450 |
| Compound Name: | N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-4-methoxyaniline |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C20 H25 N5 O S |
| Smiles: | COc1ccc(cc1)NCc1cccn1c1nnc(N2CCCCCC2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8223 |
| logD: | 4.8223 |
| logSw: | -4.4355 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.464 |
| InChI Key: | MSCLOLHTQYPDIS-UHFFFAOYSA-N |