N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(4-methoxyphenyl)acetamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 3330-2951 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 433.32 |
| Molecular Formula: | C18 H17 Br N4 O2 S |
| Smiles: | COc1ccc(CC(NCC2=NNC(N2c2ccc(cc2)[Br])=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3164 |
| logD: | 2.4658 |
| logSw: | -3.597 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.844 |
| InChI Key: | OWTGVPHTJVFXJZ-UHFFFAOYSA-N |