N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2-methoxyphenyl)ethan-1-amine
Chemical Structure Depiction of
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2-methoxyphenyl)ethan-1-amine
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2-methoxyphenyl)ethan-1-amine
Compound characteristics
| Compound ID: | E958-1525 |
| Compound Name: | N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(2-methoxyphenyl)ethan-1-amine |
| Molecular Weight: | 411.57 |
| Molecular Formula: | C22 H29 N5 O S |
| Smiles: | COc1ccccc1CCNCc1cccn1c1nnc(N2CCCCCC2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3857 |
| logD: | 3.8079 |
| logSw: | -4.1472 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.923 |
| InChI Key: | ZNLFUIASWCIADE-UHFFFAOYSA-N |