methyl 3-[6-(4-benzylpiperazin-1-yl)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[6-(4-benzylpiperazin-1-yl)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[6-(4-benzylpiperazin-1-yl)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K221-2571 |
| Compound Name: | methyl 3-[6-(4-benzylpiperazin-1-yl)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C27 H32 N4 O5 |
| Smiles: | COC(c1ccc2C(N(CCCCCC(N3CCN(CC3)Cc3ccccc3)=O)C(Nc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1045 |
| logD: | 3.0685 |
| logSw: | -3.4456 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.565 |
| InChI Key: | DGVHFNRHKPQQHF-UHFFFAOYSA-N |