2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-6019 |
| Compound Name: | 2-({7-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 545.61 |
| Molecular Formula: | C29 H27 N3 O6 S |
| Smiles: | CCC(C(NCc1ccc(C)cc1)=O)SC1=Nc2cc3c(cc2C(N1Cc1ccc2c(c1)OCO2)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5557 |
| logD: | 5.5557 |
| logSw: | -5.3826 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.687 |
| InChI Key: | DKBMBAXSCCHCTJ-SANMLTNESA-N |