N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
Chemical Structure Depiction of
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-1774 |
| Compound Name: | N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | CC(C)(C)c1nnc(NC(c2ccccc2[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.2994 |
| logD: | 0.2386 |
| logSw: | -3.9865 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.955 |
| InChI Key: | BRPKDYSLOAGHIF-UHFFFAOYSA-N |