N-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-nitrobenzamide
N-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 8008-6263 |
| Compound Name: | N-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-nitrobenzamide |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C17 H13 N5 O3 S2 |
| Smiles: | C(c1ccccc1)c1nnc(NC(NC(c2ccc(cc2)[N+]([O-])=O)=O)=S)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0364 |
| logD: | 4.0299 |
| logSw: | -4.4037 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.39 |
| InChI Key: | VUCYZBRTZPNUGA-UHFFFAOYSA-N |