N-butyl-N-methyl-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-butyl-N-methyl-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
N-butyl-N-methyl-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | G819-0023 |
| Compound Name: | N-butyl-N-methyl-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | CCCCN(C)C(CS(Cc1cnn(c2ccccc2)c1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1102 |
| logD: | 3.1102 |
| logSw: | -3.2758 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.012 |
| InChI Key: | HBZZWEBTUAWKDA-MUUNZHRXSA-N |