N-(5-chloro-2-methoxyphenyl)-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(5-chloro-2-methoxyphenyl)-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0254 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 485.97 |
| Molecular Formula: | C23 H21 Cl F N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)F)SCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1175 |
| logD: | 4.1145 |
| logSw: | -4.5238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.668 |
| InChI Key: | OLTGLXCNKKJCPU-UHFFFAOYSA-N |