1-[3-(4-methoxyphenyl)-6,6-dimethyl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-2(3H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(4-methoxyphenyl)-6,6-dimethyl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-2(3H)-yl]ethan-1-one
1-[3-(4-methoxyphenyl)-6,6-dimethyl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-2(3H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y508-2071 |
| Compound Name: | 1-[3-(4-methoxyphenyl)-6,6-dimethyl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-2(3H)-yl]ethan-1-one |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C17 H22 N2 O3 |
| Smiles: | CC(N1C(C2COC(C)(C)CC2=N1)c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8139 |
| logD: | 2.8139 |
| logSw: | -3.1334 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.604 |
| InChI Key: | DEYWYIBQEVBCGD-UHFFFAOYSA-N |