N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)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-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)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-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Compound characteristics
| Compound ID: | K284-5789 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{6-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide |
| Molecular Weight: | 606.65 |
| Molecular Formula: | C30 H30 N4 O8 S |
| Smiles: | C(CCC(NCc1ccc2c(c1)OCO2)=O)CCN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9776 |
| logD: | 3.9776 |
| logSw: | -4.0391 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.672 |
| InChI Key: | WPQDAZQKDZMSEO-UHFFFAOYSA-N |