2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl N-benzoyl-S-benzylcysteinate
Chemical Structure Depiction of
2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl N-benzoyl-S-benzylcysteinate
2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl N-benzoyl-S-benzylcysteinate
Compound characteristics
| Compound ID: | 8017-1968 |
| Compound Name: | 2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl N-benzoyl-S-benzylcysteinate |
| Molecular Weight: | 575.77 |
| Molecular Formula: | C33 H41 N3 O4 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)C(COC(C(CSCc1ccccc1)NC(c1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7122 |
| logD: | 4.6424 |
| logSw: | -4.636 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.484 |
| InChI Key: | LDPWCBLMUZPMAS-ISOGBVIHSA-N |