ethyl 4-[({2-[(adamantan-1-yl)oxy]ethyl}carbamothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[({2-[(adamantan-1-yl)oxy]ethyl}carbamothioyl)amino]benzoate
ethyl 4-[({2-[(adamantan-1-yl)oxy]ethyl}carbamothioyl)amino]benzoate
Compound characteristics
| Compound ID: | 8012-6688 |
| Compound Name: | ethyl 4-[({2-[(adamantan-1-yl)oxy]ethyl}carbamothioyl)amino]benzoate |
| Molecular Weight: | 402.55 |
| Molecular Formula: | C22 H30 N2 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NCCOC12CC3CC(CC(C3)C2)C1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3604 |
| logD: | 5.3604 |
| logSw: | -5.4189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.239 |
| InChI Key: | QHWZOXOVJLOLHS-UHFFFAOYSA-N |