N-[(4-methylphenyl)methyl]-2-{[8-oxo-7-(2-phenylethyl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-{[8-oxo-7-(2-phenylethyl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide
N-[(4-methylphenyl)methyl]-2-{[8-oxo-7-(2-phenylethyl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K284-6132 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-{[8-oxo-7-(2-phenylethyl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C29 H29 N3 O4 S |
| Smiles: | CCC(C(NCc1ccc(C)cc1)=O)SC1=Nc2cc3c(cc2C(N1CCc1ccccc1)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7836 |
| logD: | 5.7836 |
| logSw: | -5.4413 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.55 |
| InChI Key: | HXRFSJSQLHAKMQ-SANMLTNESA-N |