1'-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one
Chemical Structure Depiction of
1'-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one
1'-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one
Compound characteristics
| Compound ID: | 8017-1074 |
| Compound Name: | 1'-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4,5,6,7,8,8a-hexahydro-3aH-spiro[cyclohepta[d][1,3]dioxole-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C26 H30 F N3 O3 |
| Smiles: | C1CCC2C(CC1)OC1(C(N(CN3CCN(CC3)c3ccccc3F)c3ccccc13)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.061 |
| logD: | 4.5127 |
| logSw: | -4.7005 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.286 |
| InChI Key: | BNRSQQBPZNBOSB-UHFFFAOYSA-N |