N-cyclohexyl-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
Chemical Structure Depiction of
N-cyclohexyl-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
N-cyclohexyl-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
Compound characteristics
| Compound ID: | D580-1740 |
| Compound Name: | N-cyclohexyl-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide |
| Molecular Weight: | 465.64 |
| Molecular Formula: | C21 H31 N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(N(C)C1CCCCC1)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4796 |
| logD: | 2.4796 |
| logSw: | -2.6027 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.563 |
| InChI Key: | WSXJOBPEECEQFD-UHFFFAOYSA-N |