N-cyclooctyl-4-(ethanesulfonyl)-1-(3-fluorophenyl)-2-methyl-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
N-cyclooctyl-4-(ethanesulfonyl)-1-(3-fluorophenyl)-2-methyl-6-oxopiperazine-2-carboxamide
N-cyclooctyl-4-(ethanesulfonyl)-1-(3-fluorophenyl)-2-methyl-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-0736 |
| Compound Name: | N-cyclooctyl-4-(ethanesulfonyl)-1-(3-fluorophenyl)-2-methyl-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C22 H32 F N3 O4 S |
| Smiles: | CCS(N1CC(N(c2cccc(c2)F)C(C)(C1)C(NC1CCCCCCC1)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2253 |
| logD: | 3.2253 |
| logSw: | -3.5389 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.892 |
| InChI Key: | OEIQSMVLQQRZHW-QFIPXVFZSA-N |