N-[2-(azepan-1-yl)ethyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
N-[2-(azepan-1-yl)ethyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C857-0172 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide |
| Molecular Weight: | 402.56 |
| Molecular Formula: | C20 H30 N6 O S |
| Smiles: | C1CCCN(CC1)CCNC(C1CCN(CC1)c1nnc(n2cccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8279 |
| logD: | 1.0452 |
| logSw: | -2.8724 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.379 |
| InChI Key: | JXQWVRHQHDLKKD-UHFFFAOYSA-N |