3,4,5-trimethoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
3,4,5-trimethoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | 2515-5412 |
| Compound Name: | 3,4,5-trimethoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCC1=NNC(N1c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.274 |
| logD: | 1.4234 |
| logSw: | -2.9416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.492 |
| InChI Key: | ITNIOTGCFOWVPK-UHFFFAOYSA-N |