2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C592-2630 |
| Compound Name: | 2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 395.53 |
| Molecular Formula: | C21 H25 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1Cc1ccccc1)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0854 |
| logD: | 3.0853 |
| logSw: | -3.1384 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.602 |
| InChI Key: | XYCVRTNDBHZLRX-UHFFFAOYSA-N |