N-[1-(adamantan-1-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-[1-(adamantan-1-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | 6208-0274 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 354.56 |
| Molecular Formula: | C22 H30 N2 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(N1CCc2ccccc2C1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3959 |
| logD: | 5.3959 |
| logSw: | -5.5598 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 11.3172 |
| InChI Key: | HVQDMPZQMJIZFH-BZSISCHUSA-N |