2-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide
2-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide
Compound characteristics
Compound ID: | Y032-2562 |
Compound Name: | 2-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide |
Molecular Weight: | 354.81 |
Molecular Formula: | C14 H15 Cl N4 O3 S |
Smiles: | CC(C)(C)Cc1nnc(NC(c2cc(ccc2[Cl])[N+]([O-])=O)=O)s1 |
Stereo: | ACHIRAL |
logP: | 4.4541 |
logD: | 1.7239 |
logSw: | -4.7064 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.751 |
InChI Key: | HPLFAUNVDHAXOZ-UHFFFAOYSA-N |