N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{6-[(1-{[(furan-2-yl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{6-[(1-{[(furan-2-yl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{6-[(1-{[(furan-2-yl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Compound characteristics
| Compound ID: | K284-5788 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{6-[(1-{[(furan-2-yl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide |
| Molecular Weight: | 634.71 |
| Molecular Formula: | C32 H34 N4 O8 S |
| Smiles: | CCC(C(NCc1ccco1)=O)SC1=Nc2cc3c(cc2C(N1CCCCCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8244 |
| logD: | 4.8244 |
| logSw: | -4.3575 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.885 |
| InChI Key: | JCUIHXUPRGNUPU-NDEPHWFRSA-N |