N-(2,4-dimethylphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2,4-dimethylphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0018 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C26 H29 N5 O S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nnc(Cc2cccn2C)n1CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6736 |
| logD: | 4.6736 |
| logSw: | -4.4044 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.273 |
| InChI Key: | FVSVPBKVVCJLHP-UHFFFAOYSA-N |