1'-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-5-methyl-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
Chemical Structure Depiction of
1'-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-5-methyl-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
1'-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-5-methyl-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one
Compound characteristics
| Compound ID: | 8018-0714 |
| Compound Name: | 1'-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-5-methyl-5-nitrospiro[[1,3]dioxane-2,3'-indol]-2'(1'H)-one |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C24 H28 N4 O6 |
| Smiles: | CC1(COC2(C(N(CN3CCN(CC3)c3ccc(cc3)OC)c3ccccc23)=O)OC1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2405 |
| logD: | 2.3757 |
| logSw: | -3.768 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.853 |
| InChI Key: | QVLGVQMUCPZIJL-UHFFFAOYSA-N |