N-[(5-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(5-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
N-[(5-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D580-1729 |
| Compound Name: | N-[(5-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C21 H21 N5 O4 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCN1C(c2ccccc2C1=O)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1796 |
| logD: | 2.1796 |
| logSw: | -2.8959 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.269 |
| InChI Key: | ASGWYJLOVNHABK-UHFFFAOYSA-N |