4-benzyl-N-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}piperazine-1-carboxamide
Chemical Structure Depiction of
4-benzyl-N-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}piperazine-1-carboxamide
4-benzyl-N-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y044-5312 |
| Compound Name: | 4-benzyl-N-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}piperazine-1-carboxamide |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(CNC(N1CCN(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8068 |
| logD: | 2.2848 |
| logSw: | -3.414 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.72 |
| InChI Key: | XCYCWSJGCXOUSX-UHFFFAOYSA-N |