N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
Compound characteristics
| Compound ID: | K284-5254 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1545 |
| logD: | 2.1326 |
| logSw: | -3.1019 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.999 |
| InChI Key: | PYPPJAJZRSWFSY-UHFFFAOYSA-N |