3,4,5-triethoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
3,4,5-triethoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
3,4,5-triethoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
Compound ID: | 2515-5410 |
Compound Name: | 3,4,5-triethoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide |
Molecular Weight: | 442.54 |
Molecular Formula: | C22 H26 N4 O4 S |
Smiles: | CCOc1cc(cc(c1OCC)OCC)C(NCC1=NNC(N1c1ccccc1)=S)=O |
Stereo: | ACHIRAL |
logP: | 3.2328 |
logD: | 2.3822 |
logSw: | -3.4273 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 73.231 |
InChI Key: | NVTBOIYRIJYYEI-UHFFFAOYSA-N |