N-[(furan-2-yl)methyl]-2-[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]butanamide
N-[(furan-2-yl)methyl]-2-[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | K284-5950 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-[(8-oxo-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)sulfanyl]butanamide |
| Molecular Weight: | 665.77 |
| Molecular Formula: | C36 H35 N5 O6 S |
| Smiles: | CCC(C(NCc1ccco1)=O)SC1=Nc2cc3c(cc2C(N1Cc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5592 |
| logD: | 5.5592 |
| logSw: | -5.3965 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.229 |
| InChI Key: | JMLLPUXMMYZAJH-YTTGMZPUSA-N |