methyl 3-{[4-(4-benzyl-2,3-dioxopiperazin-1-yl)piperidine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-(4-benzyl-2,3-dioxopiperazin-1-yl)piperidine-1-carbonyl]amino}benzoate
methyl 3-{[4-(4-benzyl-2,3-dioxopiperazin-1-yl)piperidine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G909-0069 |
| Compound Name: | methyl 3-{[4-(4-benzyl-2,3-dioxopiperazin-1-yl)piperidine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C25 H28 N4 O5 |
| Smiles: | COC(c1cccc(c1)NC(N1CCC(CC1)N1CCN(Cc2ccccc2)C(C1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8105 |
| logD: | 2.8105 |
| logSw: | -3.3997 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.121 |
| InChI Key: | HVZOHIRSQTVARU-UHFFFAOYSA-N |