N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
Compound characteristics
| Compound ID: | 3330-2921 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide |
| Molecular Weight: | 419.3 |
| Molecular Formula: | C17 H15 Br N4 O2 S |
| Smiles: | C(C1=NNC(N1c1ccc(cc1)[Br])=S)NC(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.312 |
| logD: | 2.4614 |
| logSw: | -3.4961 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.8 |
| InChI Key: | BETTVUWWLZFFQV-UHFFFAOYSA-N |