N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | 3330-2591 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide |
| Molecular Weight: | 407.26 |
| Molecular Formula: | C16 H12 Br F N4 O S |
| Smiles: | C(C1=NNC(N1c1ccc(cc1)[Br])=S)NC(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7294 |
| logD: | 2.8788 |
| logSw: | -4.2602 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | FFGGYSNGFQJFQV-UHFFFAOYSA-N |