N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide
N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y202-7206 |
| Compound Name: | N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C16 H18 N4 O3 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1nnc(CC2CCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2838 |
| logD: | 2.388 |
| logSw: | -4.4303 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.737 |
| InChI Key: | NGXLUAPCFGVKPB-UHFFFAOYSA-N |