3-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxamide
3-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-4522 |
| Compound Name: | 3-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 587.7 |
| Molecular Formula: | C31 H33 N5 O5 S |
| Smiles: | C1CC(CNC(c2ccc3C(N(Cc4ccco4)C(=Nc3c2)SCC(N2CCN(CC2)c2ccccc2)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6856 |
| logD: | 2.6856 |
| logSw: | -3.5632 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.24 |
| InChI Key: | YKIVUGMWNOLXHC-XMMPIXPASA-N |