N-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
N-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V028-1922 |
| Compound Name: | N-(5-{[(3-chloro-2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 424.86 |
| Molecular Formula: | C16 H10 Cl F N4 O3 S2 |
| Salt: | not_available |
| Smiles: | C(c1cccc(c1F)[Cl])Sc1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.4139 |
| logD: | 5.0149 |
| logSw: | -6.0501 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.345 |
| InChI Key: | JRRXXJRNWLVNMB-UHFFFAOYSA-N |