2-{[5-(2-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-({3-[(methanesulfonyl)amino]-2,4-dimethylphenyl}methyl)acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-({3-[(methanesulfonyl)amino]-2,4-dimethylphenyl}methyl)acetamide
2-{[5-(2-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-({3-[(methanesulfonyl)amino]-2,4-dimethylphenyl}methyl)acetamide
Compound characteristics
Compound ID: | 8016-9692 |
Compound Name: | 2-{[5-(2-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-({3-[(methanesulfonyl)amino]-2,4-dimethylphenyl}methyl)acetamide |
Molecular Weight: | 562.15 |
Molecular Formula: | C26 H32 Cl N5 O3 S2 |
Smiles: | Cc1ccc(CNC(CSc2nnc(c3ccccc3[Cl])n2C2CCCCC2)=O)c(C)c1NS(C)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7849 |
logD: | 4.7707 |
logSw: | -4.7727 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.489 |
InChI Key: | KERYLMPTLCOPMU-UHFFFAOYSA-N |