N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8009-2770 |
| Compound Name: | N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C19 H18 N4 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.5712 |
| logD: | 5.5035 |
| logSw: | -5.4981 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.984 |
| InChI Key: | KIIXMXGDXSADSN-UHFFFAOYSA-N |