2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2434 |
| Compound Name: | 2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C14 H16 N4 O3 S |
| Smiles: | CC(C)Cc1nnc(NC(c2cccc(c2C)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8016 |
| logD: | 1.4712 |
| logSw: | -4.1401 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.45 |
| InChI Key: | HGQBCYZFESGKGC-UHFFFAOYSA-N |