1'-{[4-(3-chlorophenyl)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-(3-chlorophenyl)piperazin-1-yl]methyl}-3a,4,5,6,7,7a-hexahydrospiro[[1,3]benzodioxole-2,3'-indol]-2'(1'H)-one
1'-{[4-(3-chlorophenyl)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: | 8017-3793 |
| Compound Name: | 1'-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3a,4,5,6,7,7a-hexahydrospiro[[1,3]benzodioxole-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 453.97 |
| Molecular Formula: | C25 H28 Cl N3 O3 |
| Smiles: | C1CCC2C(C1)OC1(C(N(CN3CCN(CC3)c3cccc(c3)[Cl])c3ccccc13)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9702 |
| logD: | 4.1054 |
| logSw: | -4.9117 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.256 |
| InChI Key: | LXVWUMKKUMLPFF-UHFFFAOYSA-N |