N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
Compound characteristics
| Compound ID: | K284-5653 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{8-oxo-6-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide |
| Molecular Weight: | 582.63 |
| Molecular Formula: | C28 H30 N4 O8 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6724 |
| logD: | 1.6724 |
| logSw: | -2.7053 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.578 |
| InChI Key: | ZDWHPIBGXXTPPL-GOSISDBHSA-N |