N-[4-(benzenesulfonyl)-1-[(2-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide
Chemical Structure Depiction of
N-[4-(benzenesulfonyl)-1-[(2-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide
N-[4-(benzenesulfonyl)-1-[(2-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide
Compound characteristics
Compound ID: | C201-0085 |
Compound Name: | N-[4-(benzenesulfonyl)-1-[(2-methylphenyl)methyl]-3-(methylsulfanyl)-1H-pyrazol-5-yl]-N-propanoylpropanamide |
Molecular Weight: | 485.62 |
Molecular Formula: | C24 H27 N3 O4 S2 |
Smiles: | CCC(N(C(CC)=O)c1c(c(nn1Cc1ccccc1C)SC)S(c1ccccc1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2349 |
logD: | 4.2349 |
logSw: | -4.0727 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 69.936 |
InChI Key: | MVAIRSPKMZJCLS-UHFFFAOYSA-N |