N-[(2-cyanophenyl)carbamothioyl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[(2-cyanophenyl)carbamothioyl]adamantane-1-carboxamide
N-[(2-cyanophenyl)carbamothioyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 8016-9720 |
| Compound Name: | N-[(2-cyanophenyl)carbamothioyl]adamantane-1-carboxamide |
| Molecular Weight: | 339.46 |
| Molecular Formula: | C19 H21 N3 O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(NC(Nc1ccccc1C#N)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7479 |
| logD: | 4.7315 |
| logSw: | -4.8271 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.632 |
| InChI Key: | RUBFSBWFIVZAGB-UHFFFAOYSA-N |