ethyl 4-{[4-(adamantan-1-yl)piperazine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(adamantan-1-yl)piperazine-1-carbothioyl]amino}benzoate
ethyl 4-{[4-(adamantan-1-yl)piperazine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 8012-6219 |
| Compound Name: | ethyl 4-{[4-(adamantan-1-yl)piperazine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 427.61 |
| Molecular Formula: | C24 H33 N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7192 |
| logD: | 5.2289 |
| logSw: | -5.4913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.842 |
| InChI Key: | LLISBPCTJRGUKD-UHFFFAOYSA-N |