3-nitro-N-{5-[(2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
3-nitro-N-{5-[(2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
3-nitro-N-{5-[(2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | V028-1970 |
| Compound Name: | 3-nitro-N-{5-[(2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C17 H14 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | C(CSc1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.787 |
| logD: | 4.2159 |
| logSw: | -4.8439 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.345 |
| InChI Key: | FNIRDEPPZNNOQH-UHFFFAOYSA-N |