N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide
Chemical Structure Depiction of
N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide
N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide
Compound characteristics
| Compound ID: | V011-0370 |
| Compound Name: | N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide |
| Molecular Weight: | 496.42 |
| Molecular Formula: | C20 H19 Br F N3 O2 S2 |
| Salt: | not_available |
| Smiles: | CCCCOc1ccc(cc1)C(Nc1nnc(SCc2ccc(cc2F)[Br])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0126 |
| logD: | 6.9896 |
| logSw: | -5.5646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.382 |
| InChI Key: | SYUOPZRXYFCFIJ-UHFFFAOYSA-N |