4-butoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
4-butoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
4-butoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | 3330-2686 |
| Compound Name: | 4-butoxy-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | CCCCOc1ccc(cc1)C(NCC1=NNC(N1c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9256 |
| logD: | 3.0749 |
| logSw: | -3.9325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.932 |
| InChI Key: | ZMCTWCUWLZGYBU-UHFFFAOYSA-N |