methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K221-2560 |
| Compound Name: | methyl 3-{6-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C26 H29 F N4 O5 |
| Smiles: | COC(c1ccc2C(N(CCCCCC(N3CCN(CC3)c3ccc(cc3)F)=O)C(Nc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5741 |
| logD: | 3.571 |
| logSw: | -3.7451 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.285 |
| InChI Key: | XFDZCKATTNSGJZ-UHFFFAOYSA-N |