N-[1-(adamantan-1-yl)ethyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
N-[1-(adamantan-1-yl)ethyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | G819-0187 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 490.67 |
| Molecular Formula: | C28 H34 N4 O2 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(CS(Cc1cnn(c2ccccc2)c1n1cccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9208 |
| logD: | 4.9208 |
| logSw: | -4.4677 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.535 |
| InChI Key: | QDAAAJNESBDILQ-UHFFFAOYSA-N |