N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-(morpholin-4-yl)propan-1-amine
Chemical Structure Depiction of
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-(morpholin-4-yl)propan-1-amine
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-(morpholin-4-yl)propan-1-amine
Compound characteristics
| Compound ID: | E958-1465 |
| Compound Name: | N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-3-(morpholin-4-yl)propan-1-amine |
| Molecular Weight: | 404.58 |
| Molecular Formula: | C20 H32 N6 O S |
| Smiles: | C1CCCN(CC1)c1nnc(n2cccc2CNCCCN2CCOCC2)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.305 |
| logD: | 2.141 |
| logSw: | -2.4632 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.184 |
| InChI Key: | VDSBHWNKKQNQOC-UHFFFAOYSA-N |