1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(morpholin-4-yl)propyl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(morpholin-4-yl)propyl]-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(morpholin-4-yl)propyl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2237 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[3-(morpholin-4-yl)propyl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C20 H30 N6 O2 S |
| Smiles: | C1CCCN(CC1)c1nnc(n2cccc2C(NCCCN2CCOCC2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.6223 |
| logD: | 2.234 |
| logSw: | -2.8571 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.35 |
| InChI Key: | GKVROMDUKRTMSC-UHFFFAOYSA-N |