4-methyl-3-nitro-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
4-methyl-3-nitro-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
4-methyl-3-nitro-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | 3330-2776 |
| Compound Name: | 4-methyl-3-nitro-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide |
| Molecular Weight: | 369.4 |
| Molecular Formula: | C17 H15 N5 O3 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(NCC1=NNC(N1c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8414 |
| logD: | 1.9908 |
| logSw: | -3.4399 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.595 |
| InChI Key: | FRFVGVPPTQTSNA-UHFFFAOYSA-N |