2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C677-0006 |
| Compound Name: | 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 500.67 |
| Molecular Formula: | C28 H32 N6 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCc1ccccc1)SCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0891 |
| logD: | 4.0888 |
| logSw: | -4.1724 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.474 |
| InChI Key: | BWIDGXVVDZJBEI-UHFFFAOYSA-N |