N~2~-{benzyl[(pyridin-3-yl)methyl]carbamothioyl}-N-cyclohexylglycinamide
Chemical Structure Depiction of
N~2~-{benzyl[(pyridin-3-yl)methyl]carbamothioyl}-N-cyclohexylglycinamide
N~2~-{benzyl[(pyridin-3-yl)methyl]carbamothioyl}-N-cyclohexylglycinamide
Compound characteristics
| Compound ID: | K784-4015 |
| Compound Name: | N~2~-{benzyl[(pyridin-3-yl)methyl]carbamothioyl}-N-cyclohexylglycinamide |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C22 H28 N4 O S |
| Smiles: | C1CCC(CC1)NC(CNC(N(Cc1ccccc1)Cc1cccnc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.372 |
| logD: | 3.3714 |
| logSw: | -3.4681 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.465 |
| InChI Key: | MRZFOIAQGSAOPX-UHFFFAOYSA-N |