N-[(2-chloro-4-fluorophenyl)methyl]-N~2~-{1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}glycinamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-N~2~-{1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}glycinamide
N-[(2-chloro-4-fluorophenyl)methyl]-N~2~-{1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}glycinamide
Compound characteristics
| Compound ID: | K786-5767 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-N~2~-{1-[(4-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-4-carbothioyl}glycinamide |
| Molecular Weight: | 517.11 |
| Molecular Formula: | C27 H34 Cl F N4 O S |
| Smiles: | Cc1ccc(CN2CCN(CC23CCCCC3)C(NCC(NCc2ccc(cc2[Cl])F)=O)=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0068 |
| logD: | 4.6564 |
| logSw: | -6.0428 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.971 |
| InChI Key: | GTXFQBHSTBKMJL-UHFFFAOYSA-N |