N-(4-fluorophenyl)-5-{[(2-oxo-2-{[2-(pyrrolidin-1-yl)ethyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-5-{[(2-oxo-2-{[2-(pyrrolidin-1-yl)ethyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(4-fluorophenyl)-5-{[(2-oxo-2-{[2-(pyrrolidin-1-yl)ethyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0654 |
| Compound Name: | N-(4-fluorophenyl)-5-{[(2-oxo-2-{[2-(pyrrolidin-1-yl)ethyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C18 H22 F N5 O2 S2 |
| Smiles: | C1CCN(C1)CCNC(CSCc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9189 |
| logD: | 0.1778 |
| logSw: | -2.5857 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.719 |
| InChI Key: | AJGIJMWBHHPDFL-UHFFFAOYSA-N |