2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-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-(pyrrolidin-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-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C677-0001 |
| Compound Name: | 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C22 H27 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCc1ccccc1)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2349 |
| logD: | 3.2346 |
| logSw: | -3.4229 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.58 |
| InChI Key: | GQMMCMCXLREEDB-UHFFFAOYSA-N |