methyl 2-[(4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}piperidine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}piperidine-1-carbonyl)amino]benzoate
methyl 2-[(4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}piperidine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G909-0093 |
| Compound Name: | methyl 2-[(4-{4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl}piperidine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C26 H30 N4 O5 |
| Smiles: | Cc1ccc(CN2CCN(C3CCN(CC3)C(Nc3ccccc3C(=O)OC)=O)C(C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0831 |
| logD: | 3.0823 |
| logSw: | -3.3382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.424 |
| InChI Key: | KJRNDLBPCMLVPT-UHFFFAOYSA-N |