methyl 3-{6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K221-2576 |
| Compound Name: | methyl 3-{6-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C28 H34 N4 O5 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCCCCN1C(c2ccc(cc2NC1=O)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5814 |
| logD: | 4.5783 |
| logSw: | -4.2279 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.984 |
| InChI Key: | XVTFECYYDKXFJQ-UHFFFAOYSA-N |