2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C677-0079 |
| Compound Name: | 2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C23 H29 N5 O S |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(Cc2cccn2C)n1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8521 |
| logD: | 3.852 |
| logSw: | -3.7941 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.979 |
| InChI Key: | HTKGRMONAWBAPJ-UHFFFAOYSA-N |