N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylbutan-1-amine
Chemical Structure Depiction of
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylbutan-1-amine
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylbutan-1-amine
Compound characteristics
| Compound ID: | E958-1467 |
| Compound Name: | N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-methylbutan-1-amine |
| Molecular Weight: | 347.52 |
| Molecular Formula: | C18 H29 N5 S |
| Smiles: | CC(C)CCNCc1cccn1c1nnc(N2CCCCCC2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0735 |
| logD: | 3.4884 |
| logSw: | -3.8519 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.564 |
| InChI Key: | XXXNKLXJUXYLBU-UHFFFAOYSA-N |