N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-nitrobenzamide
N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 8008-6262 |
| Compound Name: | N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-nitrobenzamide |
| Molecular Weight: | 323.35 |
| Molecular Formula: | C11 H9 N5 O3 S2 |
| Smiles: | Cc1nnc(NC(NC(c2ccc(cc2)[N+]([O-])=O)=O)=S)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.2476 |
| logD: | 2.2183 |
| logSw: | -2.8335 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.973 |
| InChI Key: | QIXWOKFSEDBHIM-UHFFFAOYSA-N |