methyl 3-{6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K221-2580 |
| Compound Name: | methyl 3-{6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 527.02 |
| Molecular Formula: | C27 H31 Cl N4 O5 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CCCCCN1C(c2ccc(cc2NC1=O)C(=O)OC)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7061 |
| logD: | 4.703 |
| logSw: | -4.7192 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.984 |
| InChI Key: | JIFVRLNIFMLFIB-UHFFFAOYSA-N |