N-(4-fluorophenyl)-N-({5-[(2-oxo-2-phenylethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)methanesulfonamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-({5-[(2-oxo-2-phenylethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)methanesulfonamide
N-(4-fluorophenyl)-N-({5-[(2-oxo-2-phenylethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)methanesulfonamide
Compound characteristics
| Compound ID: | D583-1791 |
| Compound Name: | N-(4-fluorophenyl)-N-({5-[(2-oxo-2-phenylethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)methanesulfonamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C21 H21 F N4 O3 S2 |
| Smiles: | CS(N(Cc1nnc(n1CC=C)SCC(c1ccccc1)=O)c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8292 |
| logD: | 2.8292 |
| logSw: | -3.3548 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.032 |
| InChI Key: | ROAWNWWNTOAOGP-UHFFFAOYSA-N |