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-(3-chloro-4-methylphenyl)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-(3-chloro-4-methylphenyl)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-(3-chloro-4-methylphenyl)butanamide
Compound characteristics
| Compound ID: | K284-6072 |
| 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-(3-chloro-4-methylphenyl)butanamide |
| Molecular Weight: | 566.03 |
| Molecular Formula: | C28 H24 Cl N3 O6 S |
| Smiles: | CCC(C(Nc1ccc(C)c(c1)[Cl])=O)SC1=Nc2cc3c(cc2C(N1Cc1ccc2c(c1)OCO2)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0053 |
| logD: | 7.005 |
| logSw: | -6.4196 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.365 |
| InChI Key: | ZCNJOFUBHOYFJE-VWLOTQADSA-N |