4-tert-butyl-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
4-tert-butyl-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 3330-2653 |
| Compound Name: | 4-tert-butyl-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C21 H24 N4 O S |
| Smiles: | Cc1cccc(c1)N1C(CNC(c2ccc(cc2)C(C)(C)C)=O)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.9077 |
| logD: | 4.573 |
| logSw: | -4.6342 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | XZTAOICBLLZJEH-UHFFFAOYSA-N |