N-{2-[(3,5-dimethyladamantan-1-yl)oxy]ethyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{2-[(3,5-dimethyladamantan-1-yl)oxy]ethyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-{2-[(3,5-dimethyladamantan-1-yl)oxy]ethyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-1704 |
| Compound Name: | N-{2-[(3,5-dimethyladamantan-1-yl)oxy]ethyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 451.63 |
| Molecular Formula: | C26 H33 N3 O2 S |
| Smiles: | CC12CC3CC(C)(C1)CC(C3)(C2)OCCNC(c1c2CSc3ccccc3c2n(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8187 |
| logD: | 4.8187 |
| logSw: | -4.6756 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.077 |
| InChI Key: | JQOQWDMWXLGEHJ-UHFFFAOYSA-N |