1'-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3a,4,5,6,7,7a-hexahydrospiro[[1,3]benzodioxole-2,3'-indol]-2'(1'H)-one
Chemical Structure Depiction of
1'-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3a,4,5,6,7,7a-hexahydrospiro[[1,3]benzodioxole-2,3'-indol]-2'(1'H)-one
1'-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3a,4,5,6,7,7a-hexahydrospiro[[1,3]benzodioxole-2,3'-indol]-2'(1'H)-one
Compound characteristics
| Compound ID: | 8017-2311 |
| Compound Name: | 1'-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3a,4,5,6,7,7a-hexahydrospiro[[1,3]benzodioxole-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)CN1C(C2(c3ccccc13)OC1CCCCC1O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4905 |
| logD: | 3.6257 |
| logSw: | -4.3446 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.8 |
| InChI Key: | VBBNJIKOMYXICX-UHFFFAOYSA-N |