2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)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-(naphthalen-1-yl)acetamide
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide
Compound characteristics
| Compound ID: | C677-0012 |
| Compound Name: | 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C28 H27 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCc1ccccc1)SCC(Nc1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.76 |
| logD: | 4.76 |
| logSw: | -5.0949 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.001 |
| InChI Key: | NKKGJXWWXNLDEI-UHFFFAOYSA-N |