N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3362 |
| Compound Name: | N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide |
| Molecular Weight: | 390.8 |
| Molecular Formula: | C16 H11 Cl N4 O4 S |
| Smiles: | C(c1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0882 |
| logD: | 2.0077 |
| logSw: | -4.6725 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.979 |
| InChI Key: | ZLCFGIUTIVPIDX-UHFFFAOYSA-N |