N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2429 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide |
| Molecular Weight: | 374.8 |
| Molecular Formula: | C16 H11 Cl N4 O3 S |
| Smiles: | C(c1ccc(cc1)[Cl])c1nnc(NC(c2ccccc2[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0199 |
| logD: | 1.5598 |
| logSw: | -4.7153 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.179 |
| InChI Key: | XQEUJVBUVFFFHR-UHFFFAOYSA-N |