ethyl 4-{N-[4-(adamantan-1-yl)benzoyl]valyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{N-[4-(adamantan-1-yl)benzoyl]valyl}piperazine-1-carboxylate
ethyl 4-{N-[4-(adamantan-1-yl)benzoyl]valyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C155-0546 |
| Compound Name: | ethyl 4-{N-[4-(adamantan-1-yl)benzoyl]valyl}piperazine-1-carboxylate |
| Molecular Weight: | 495.66 |
| Molecular Formula: | C29 H41 N3 O4 |
| Smiles: | CCOC(N1CCN(CC1)C(C(C(C)C)NC(c1ccc(cc1)C12CC3CC(CC(C3)C2)C1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.38 |
| logD: | 5.38 |
| logSw: | -5.442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.466 |
| InChI Key: | HAXDCNPWGZTLDP-FADFPCINSA-N |