N-{5-[2-(naphthalene-2-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{5-[2-(naphthalene-2-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
N-{5-[2-(naphthalene-2-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1937-0348 |
| Compound Name: | N-{5-[2-(naphthalene-2-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzamide |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C21 H16 N4 O5 S2 |
| Smiles: | C(CS(c1ccc2ccccc2c1)(=O)=O)c1nnc(NC(c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9828 |
| logD: | 3.0987 |
| logSw: | -4.2511 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.244 |
| InChI Key: | OSDFKZJKQHGIJK-UHFFFAOYSA-N |