4-tert-butyl-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
4-tert-butyl-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | 2515-5366 |
| Compound Name: | 4-tert-butyl-N-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]benzamide |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C20 H22 N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NCC1=NNC(N1c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2877 |
| logD: | 3.4371 |
| logSw: | -4.2153 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | YMXPWEOFJHVCJV-UHFFFAOYSA-N |