N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide
Chemical Structure Depiction of
N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide
N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide
Compound characteristics
| Compound ID: | V008-4144 |
| Compound Name: | N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,5,5-trimethylhexanamide |
| Molecular Weight: | 460.43 |
| Molecular Formula: | C18 H23 Br F N3 O S2 |
| Smiles: | CC(CC(Nc1nnc(SCc2ccc(cc2F)[Br])s1)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.75 |
| logD: | 6.7464 |
| logSw: | -5.5731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | XZMUSEYIMGLSHJ-LLVKDONJSA-N |