2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
Chemical Structure Depiction of
2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
Compound characteristics
| Compound ID: | C677-0159 |
| Compound Name: | 2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)OC)SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6262 |
| logD: | 3.6262 |
| logSw: | -4.0615 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.28 |
| InChI Key: | VLNFWEAQVNZMNH-UHFFFAOYSA-N |