2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C677-0020 |
| Compound Name: | 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 473.64 |
| Molecular Formula: | C27 H31 N5 O S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSc1nnc(Cc2cccn2C)n1CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7042 |
| logD: | 4.7042 |
| logSw: | -4.4271 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.575 |
| InChI Key: | DYRRDKFWAVHRAV-UHFFFAOYSA-N |