3-[2-(adamantan-1-yl)ethyl]-6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine
Chemical Structure Depiction of
3-[2-(adamantan-1-yl)ethyl]-6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine
3-[2-(adamantan-1-yl)ethyl]-6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine
Compound characteristics
| Compound ID: | C276-1129 |
| Compound Name: | 3-[2-(adamantan-1-yl)ethyl]-6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine |
| Molecular Weight: | 359.94 |
| Molecular Formula: | C22 H30 Cl N O |
| Smiles: | Cc1cc2c(CN(CCC34CC5CC(CC(C5)C4)C3)CO2)c(C)c1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.6147 |
| logD: | 5.7298 |
| logSw: | -6.7154 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 12.8345 |
| InChI Key: | HTVHARTZAHFAKM-UHFFFAOYSA-N |