N-cycloheptyl-4-(methanesulfonyl)-2-methyl-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
N-cycloheptyl-4-(methanesulfonyl)-2-methyl-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide
N-cycloheptyl-4-(methanesulfonyl)-2-methyl-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-0450 |
| Compound Name: | N-cycloheptyl-4-(methanesulfonyl)-2-methyl-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 453.62 |
| Molecular Formula: | C21 H31 N3 O4 S2 |
| Smiles: | CC1(CN(CC(N1c1cccc(c1)SC)=O)S(C)(=O)=O)C(NC1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7622 |
| logD: | 2.7622 |
| logSw: | -3.4061 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.49 |
| InChI Key: | OUMIHLBKJBKOBO-NRFANRHFSA-N |