N-{2-[(adamantan-1-yl)oxy]ethyl}-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)oxy]ethyl}-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
N-{2-[(adamantan-1-yl)oxy]ethyl}-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C762-0336 |
| Compound Name: | N-{2-[(adamantan-1-yl)oxy]ethyl}-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(CO2)cnn1CC(NCCOC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0116 |
| logD: | 4.0116 |
| logSw: | -4.1259 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.48 |
| InChI Key: | XIYHNQFRSNHEJR-UHFFFAOYSA-N |