N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-[(cyanomethyl)sulfanyl]-8-oxo-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-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide
Compound characteristics
| Compound ID: | K284-5632 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}butanamide |
| Molecular Weight: | 480.5 |
| Molecular Formula: | C23 H20 N4 O6 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.1241 |
| logD: | 2.1241 |
| logSw: | -3.0637 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.215 |
| InChI Key: | SHCBDCKAUWWNMK-UHFFFAOYSA-N |