4-(methanesulfonyl)-1,2-dimethyl-N-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
4-(methanesulfonyl)-1,2-dimethyl-N-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-6-oxopiperazine-2-carboxamide
4-(methanesulfonyl)-1,2-dimethyl-N-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-7595 |
| Compound Name: | 4-(methanesulfonyl)-1,2-dimethyl-N-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 456.58 |
| Molecular Formula: | C19 H28 N4 O5 S2 |
| Smiles: | CC1(CN(CC(N1C)=O)S(C)(=O)=O)C(NCC(NCCc1ccc(cc1)SC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4039 |
| logD: | 0.4039 |
| logSw: | -2.4046 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.396 |
| InChI Key: | NZBCZAPIZPPDTA-IBGZPJMESA-N |