2-({4-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | C592-2991 |
| Compound Name: | 2-({4-(4-chlorophenyl)-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: | 444 |
| Molecular Formula: | C22 H26 Cl N5 O S |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(Cc2cccn2C)n1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0235 |
| logD: | 4.0233 |
| logSw: | -4.4186 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.979 |
| InChI Key: | VYMVCNBOCZTCTN-UHFFFAOYSA-N |