N-cyclooctyl-4-(methanesulfonyl)-2-methyl-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
N-cyclooctyl-4-(methanesulfonyl)-2-methyl-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide
N-cyclooctyl-4-(methanesulfonyl)-2-methyl-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-0619 |
| Compound Name: | N-cyclooctyl-4-(methanesulfonyl)-2-methyl-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 467.65 |
| Molecular Formula: | C22 H33 N3 O4 S2 |
| Smiles: | CC1(CN(CC(N1c1cccc(c1)SC)=O)S(C)(=O)=O)C(NC1CCCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2581 |
| logD: | 3.2581 |
| logSw: | -3.6667 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.49 |
| InChI Key: | BDHKCVORLGQXLY-QFIPXVFZSA-N |