N-[(2-chlorophenyl)methyl]-2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(2-chlorophenyl)methyl]-2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0210 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 482 |
| Molecular Formula: | C24 H24 Cl N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)OC)SCC(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2812 |
| logD: | 4.2812 |
| logSw: | -4.391 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.602 |
| InChI Key: | JIYFJNODCDFJEO-UHFFFAOYSA-N |