4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2539 |
| Compound Name: | 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide |
| Molecular Weight: | 354.81 |
| Molecular Formula: | C14 H15 Cl N4 O3 S |
| Smiles: | CC(C)(C)Cc1nnc(NC(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.197 |
| logD: | 1.4668 |
| logSw: | -4.5554 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.45 |
| InChI Key: | VQWYTFBEYXSHFS-UHFFFAOYSA-N |