4-butoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-butoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
4-butoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 3330-2690 |
| Compound Name: | 4-butoxy-N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | CCCCOc1ccc(cc1)C(NCC1=NNC(N1c1ccccc1OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9064 |
| logD: | 3.6636 |
| logSw: | -4.0523 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.261 |
| InChI Key: | HBYVBBVFWLAKOW-UHFFFAOYSA-N |