methyl 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K221-2572 |
| Compound Name: | methyl 3-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 536.58 |
| Molecular Formula: | C28 H32 N4 O7 |
| Smiles: | COC(c1ccc2C(N(CCCCCC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)C(Nc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9757 |
| logD: | 2.6314 |
| logSw: | -3.3506 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.681 |
| InChI Key: | WGDFZOIOILCAMG-UHFFFAOYSA-N |