N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | V012-1868 |
| Compound Name: | N-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 424.31 |
| Molecular Formula: | C16 H11 Br F N3 O S2 |
| Salt: | not_available |
| Smiles: | C(c1ccc(cc1F)[Br])Sc1nnc(NC(c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.4752 |
| logD: | 5.4301 |
| logSw: | -5.794 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.964 |
| InChI Key: | QHRNNVYHOLXWEE-UHFFFAOYSA-N |