N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-butoxybenzamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-butoxybenzamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-butoxybenzamide
Compound characteristics
| Compound ID: | 3330-2691 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-butoxybenzamide |
| Molecular Weight: | 461.38 |
| Molecular Formula: | C20 H21 Br N4 O2 S |
| Smiles: | CCCCOc1ccc(cc1)C(NCC1=NNC(N1c1ccc(cc1)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.881 |
| logD: | 4.0304 |
| logSw: | -4.4708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.932 |
| InChI Key: | DEQJZJIALBGWHG-UHFFFAOYSA-N |