N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 3202-0045 |
| Compound Name: | N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 390.41 |
| Molecular Formula: | C16 H11 F N4 O3 S2 |
| Smiles: | C(c1ccccc1F)Sc1nnc(NC(c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7019 |
| logD: | 4.6364 |
| logSw: | -4.7678 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.345 |
| InChI Key: | SPWDPFUFTHSODE-UHFFFAOYSA-N |