N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | G819-0195 |
| Compound Name: | N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | Cc1c(CCNC(CS(Cc2cnn(c3ccccc3)c2n2cccc2)=O)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.4136 |
| logD: | 2.4136 |
| logSw: | -2.5738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.219 |
| InChI Key: | AJFHONXCXAPVDC-UHFFFAOYSA-N |