N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
Chemical Structure Depiction of
N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
Compound characteristics
| Compound ID: | V003-6758 |
| Compound Name: | N-(5-{[(3-nitrophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C17 H14 N4 O3 S2 |
| Smiles: | C(C(Nc1nnc(SCc2cccc(c2)[N+]([O-])=O)s1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.141 |
| logD: | 4.1348 |
| logSw: | -4.3898 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.132 |
| InChI Key: | YMTIVLKZLXOSIJ-UHFFFAOYSA-N |