1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2127 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C20 H22 F N5 O S |
| Smiles: | C1CCCN(CC1)c1nnc(n2cccc2C(NCc2ccc(cc2)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4558 |
| logD: | 4.4558 |
| logSw: | -4.1613 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.618 |
| InChI Key: | QLIMSWGXYXLWSS-UHFFFAOYSA-N |