4-benzyl-N-{(2S)-1-[3-(methylsulfanyl)anilino]-1-oxopropan-2-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
4-benzyl-N-{(2S)-1-[3-(methylsulfanyl)anilino]-1-oxopropan-2-yl}piperazine-1-carboxamide
4-benzyl-N-{(2S)-1-[3-(methylsulfanyl)anilino]-1-oxopropan-2-yl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y043-6803 |
| Compound Name: | 4-benzyl-N-{(2S)-1-[3-(methylsulfanyl)anilino]-1-oxopropan-2-yl}piperazine-1-carboxamide |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C22 H28 N4 O2 S |
| Smiles: | C[C@@H](C(Nc1cccc(c1)SC)=O)NC(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1072 |
| logD: | 2.5852 |
| logSw: | -3.4646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.096 |
| InChI Key: | PQXOHICQHKFFOD-KRWDZBQOSA-N |