N-{2-[benzyl(methyl)amino]ethyl}-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
N-{2-[benzyl(methyl)amino]ethyl}-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | G819-0220 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C26 H29 N5 O2 S |
| Smiles: | CN(CCNC(CS(Cc1cnn(c2ccccc2)c1n1cccc1)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9529 |
| logD: | 2.3635 |
| logSw: | -3.3207 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.275 |
| InChI Key: | PBVBWKGFBPHJDR-UHFFFAOYSA-N |