3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 2515-5662 |
| Compound Name: | 3-methoxy-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 385.4 |
| Molecular Formula: | C17 H15 N5 O4 S |
| Smiles: | COc1cccc(c1)C(NCC1=NNC(N1c1ccc(cc1)[N+]([O-])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6026 |
| logD: | 1.752 |
| logSw: | -3.0262 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.439 |
| InChI Key: | WJCMBVXGERGGKI-UHFFFAOYSA-N |