2-chloro-4-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
2-chloro-4-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
2-chloro-4-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | Y032-2530 |
| Compound Name: | 2-chloro-4-nitro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 326.76 |
| Molecular Formula: | C12 H11 Cl N4 O3 S |
| Smiles: | CC(C)c1nnc(NC(c2ccc(cc2[Cl])[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5754 |
| logD: | 1.8255 |
| logSw: | -4.1698 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.256 |
| InChI Key: | KXEKLCGHDYKZKA-UHFFFAOYSA-N |