1'-[(4-phenylpiperazin-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-phenylpiperazin-1-yl)methyl]-3a,4,5,6,7,7a-hexahydrospiro[[1,3]benzodioxole-2,3'-indol]-2'(1'H)-one
1'-[(4-phenylpiperazin-1-yl)methyl]-3a,4,5,6,7,7a-hexahydrospiro[[1,3]benzodioxole-2,3'-indol]-2'(1'H)-one
Compound characteristics
| Compound ID: | 8016-9030 |
| Compound Name: | 1'-[(4-phenylpiperazin-1-yl)methyl]-3a,4,5,6,7,7a-hexahydrospiro[[1,3]benzodioxole-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C25 H29 N3 O3 |
| Smiles: | C1CCC2C(C1)OC1(C(N(CN3CCN(CC3)c3ccccc3)c3ccccc13)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3866 |
| logD: | 3.5217 |
| logSw: | -4.3958 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.256 |
| InChI Key: | VYJKCQHDIRIYPU-UHFFFAOYSA-N |