N~2~-{benzyl[(pyridin-3-yl)methyl]carbamothioyl}-N-(2,2-dimethoxyethyl)glycinamide
Chemical Structure Depiction of
N~2~-{benzyl[(pyridin-3-yl)methyl]carbamothioyl}-N-(2,2-dimethoxyethyl)glycinamide
N~2~-{benzyl[(pyridin-3-yl)methyl]carbamothioyl}-N-(2,2-dimethoxyethyl)glycinamide
Compound characteristics
| Compound ID: | K784-4009 |
| Compound Name: | N~2~-{benzyl[(pyridin-3-yl)methyl]carbamothioyl}-N-(2,2-dimethoxyethyl)glycinamide |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | COC(CNC(CNC(N(Cc1ccccc1)Cc1cccnc1)=S)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.0721 |
| logD: | 1.0715 |
| logSw: | -1.741 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.505 |
| InChI Key: | ADIGVMUWFVLGGA-UHFFFAOYSA-N |