ethyl 4-({[2-(adamantan-1-yl)ethyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[2-(adamantan-1-yl)ethyl]carbamothioyl}amino)benzoate
ethyl 4-({[2-(adamantan-1-yl)ethyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 8012-9124 |
| Compound Name: | ethyl 4-({[2-(adamantan-1-yl)ethyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 386.56 |
| Molecular Formula: | C22 H30 N2 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NCCC12CC3CC(CC(C3)C2)C1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5802 |
| logD: | 5.5802 |
| logSw: | -5.4907 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.012 |
| InChI Key: | ZFWWPSIAHNGSBE-UHFFFAOYSA-N |