N-[4-(benzenesulfonyl)-1-benzyl-3-(methylsulfanyl)-1H-pyrazol-5-yl]propanamide
Chemical Structure Depiction of
N-[4-(benzenesulfonyl)-1-benzyl-3-(methylsulfanyl)-1H-pyrazol-5-yl]propanamide
N-[4-(benzenesulfonyl)-1-benzyl-3-(methylsulfanyl)-1H-pyrazol-5-yl]propanamide
Compound characteristics
| Compound ID: | G196-0486 |
| Compound Name: | N-[4-(benzenesulfonyl)-1-benzyl-3-(methylsulfanyl)-1H-pyrazol-5-yl]propanamide |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C20 H21 N3 O3 S2 |
| Smiles: | CCC(Nc1c(c(nn1Cc1ccccc1)SC)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1546 |
| logD: | 3.1545 |
| logSw: | -3.3858 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.397 |
| InChI Key: | XTKOZPQEVFENEU-UHFFFAOYSA-N |