N-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
N-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V004-0626 |
| Compound Name: | N-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide |
| Molecular Weight: | 373.9 |
| Molecular Formula: | C15 H17 Cl F N3 O S2 |
| Smiles: | CC(C)(C)CC(Nc1nnc(SCc2cccc(c2F)[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6004 |
| logD: | 5.5947 |
| logSw: | -5.8349 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | IPYVHANPGIHMDJ-UHFFFAOYSA-N |