N-(4-methoxyphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-methoxyphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-3926 |
| Compound Name: | N-(4-methoxyphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C18 H21 N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1C)SCC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2453 |
| logD: | 2.2452 |
| logSw: | -2.7166 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.618 |
| InChI Key: | ODBWLOGGXKLSKJ-UHFFFAOYSA-N |