3-[2-(4-ethylpiperazin-1-yl)-6-oxo-1,6-dihydropyrimidin-4-yl]-6,8,8,9-tetramethyl-8,9-dihydro-2H-pyrano[3,2-g]quinolin-2-one
Chemical Structure Depiction of
3-[2-(4-ethylpiperazin-1-yl)-6-oxo-1,6-dihydropyrimidin-4-yl]-6,8,8,9-tetramethyl-8,9-dihydro-2H-pyrano[3,2-g]quinolin-2-one
3-[2-(4-ethylpiperazin-1-yl)-6-oxo-1,6-dihydropyrimidin-4-yl]-6,8,8,9-tetramethyl-8,9-dihydro-2H-pyrano[3,2-g]quinolin-2-one
Compound characteristics
| Compound ID: | Y021-1113 |
| Compound Name: | 3-[2-(4-ethylpiperazin-1-yl)-6-oxo-1,6-dihydropyrimidin-4-yl]-6,8,8,9-tetramethyl-8,9-dihydro-2H-pyrano[3,2-g]quinolin-2-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C26 H31 N5 O3 |
| Smiles: | CCN1CCN(CC1)C1NC(C=C(C2=Cc3cc4C(C)=CC(C)(C)N(C)c4cc3OC2=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0932 |
| logD: | 1.7275 |
| logSw: | -3.5061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.982 |
| InChI Key: | XLKMYHSTOOVLHS-UHFFFAOYSA-N |