4-tert-butyl-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
4-tert-butyl-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 2515-5651 |
| Compound Name: | 4-tert-butyl-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NCC1=NNC(N1c1ccc(cc1)[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3349 |
| logD: | 3.4843 |
| logSw: | -4.2459 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.896 |
| InChI Key: | ZYWGDCUOKHBFLK-UHFFFAOYSA-N |