N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 3202-0036 |
| Compound Name: | N-[5-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C17 H13 F N4 O3 S2 |
| Smiles: | C(c1ccc(cc1)F)SCc1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1896 |
| logD: | 2.3723 |
| logSw: | -4.3652 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.48 |
| InChI Key: | CKBGKQZCBXMMTH-UHFFFAOYSA-N |