N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzene-1-sulfonamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y032-2445 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C16 H14 N4 O5 S2 |
| Smiles: | COc1ccc(Cc2nnc(NS(c3ccc(cc3)[N+]([O-])=O)(=O)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2176 |
| logD: | -0.3056 |
| logSw: | -3.7251 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.582 |
| InChI Key: | UQHFPCGFJJYCNY-UHFFFAOYSA-N |