4-tert-butyl-N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
4-tert-butyl-N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 2515-5594 |
| Compound Name: | 4-tert-butyl-N-{[4-(4-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NCC1=NNC(N1c1ccc(cc1)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3917 |
| logD: | 3.541 |
| logSw: | -4.2204 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.058 |
| InChI Key: | IWFXXNVHSYBBNJ-UHFFFAOYSA-N |