5-bromo-1'-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
Chemical Structure Depiction of
5-bromo-1'-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
5-bromo-1'-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
Compound characteristics
| Compound ID: | 8018-0833 |
| Compound Name: | 5-bromo-1'-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 521.34 |
| Molecular Formula: | C22 H22 Br F N4 O5 |
| Smiles: | C1CN(CCN1CN1C(C2(c3ccccc13)OCC(CO2)([N+]([O-])=O)[Br])=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.6088 |
| logD: | 2.7439 |
| logSw: | -3.8843 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.028 |
| InChI Key: | AIAJWHILCHVIBJ-UHFFFAOYSA-N |