2-{[(4-nitrophenyl)methyl]sulfanyl}-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
2-{[(4-nitrophenyl)methyl]sulfanyl}-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | Y032-4204 |
| Compound Name: | 2-{[(4-nitrophenyl)methyl]sulfanyl}-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C14 H16 N4 O3 S2 |
| Smiles: | CC(C)c1nnc(NC(CSCc2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5253 |
| logD: | 3.2161 |
| logSw: | -3.8028 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.043 |
| InChI Key: | WQOOBJSIHYVWOF-UHFFFAOYSA-N |