N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Chemical Structure Depiction of
N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | V028-8294 |
| Compound Name: | N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide |
| Molecular Weight: | 390.29 |
| Molecular Formula: | C13 H13 Br F N3 O S2 |
| Salt: | not_available |
| Smiles: | CCCC(Nc1nnc(SCc2ccc(cc2F)[Br])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8359 |
| logD: | 4.8336 |
| logSw: | -4.6262 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | DNKKHHLASNLHGJ-UHFFFAOYSA-N |