N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}glycinamide
Compound characteristics
| Compound ID: | K786-6486 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}glycinamide |
| Molecular Weight: | 508.68 |
| Molecular Formula: | C28 H36 N4 O3 S |
| Smiles: | Cc1ccc(CN2CCN(CC23CCCCC3)C(NCC(NCc2ccc3c(c2)OCO3)=O)=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.897 |
| logD: | 3.5465 |
| logSw: | -4.5141 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.086 |
| InChI Key: | JQXVTEXZYWETLQ-UHFFFAOYSA-N |