1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2240 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 395.53 |
| Molecular Formula: | C21 H25 N5 O S |
| Smiles: | C1CCCN(CC1)c1nnc(n2cccc2C(NCCc2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3603 |
| logD: | 4.3603 |
| logSw: | -4.1314 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.459 |
| InChI Key: | JORJXFXDZNRGGE-UHFFFAOYSA-N |