N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide
Chemical Structure Depiction of
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2600 |
| Compound Name: | N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C16 H20 N4 O5 S |
| Smiles: | CC(C)(C)Cc1nnc(NC(c2cc(c(cc2[N+]([O-])=O)OC)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5026 |
| logD: | 1.31 |
| logSw: | -3.9323 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.711 |
| InChI Key: | BNZUAGKBMLKNPG-UHFFFAOYSA-N |