N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3662 |
| Compound Name: | N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide |
| Molecular Weight: | 340.38 |
| Molecular Formula: | C12 H12 N4 O4 S2 |
| Smiles: | COCCSc1nnc(NC(c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.5744 |
| logD: | 2.4624 |
| logSw: | -2.9797 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.96 |
| InChI Key: | VMEGQHNPQUDXMI-UHFFFAOYSA-N |