methyl 4-{[N-(4-benzylpiperazine-1-carbonyl)-L-alanyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[N-(4-benzylpiperazine-1-carbonyl)-L-alanyl]amino}benzoate
methyl 4-{[N-(4-benzylpiperazine-1-carbonyl)-L-alanyl]amino}benzoate
Compound characteristics
| Compound ID: | Y043-6814 |
| Compound Name: | methyl 4-{[N-(4-benzylpiperazine-1-carbonyl)-L-alanyl]amino}benzoate |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C23 H28 N4 O4 |
| Smiles: | C[C@@H](C(Nc1ccc(cc1)C(=O)OC)=O)NC(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.737 |
| logD: | 2.215 |
| logSw: | -3.255 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.27 |
| InChI Key: | RWGLZHALIFHASH-KRWDZBQOSA-N |