N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-{[(4-fluorophenyl)methyl]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-{[(4-fluorophenyl)methyl]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-{[(4-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Compound characteristics
Compound ID: | K284-5636 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-{[(4-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide |
Molecular Weight: | 549.58 |
Molecular Formula: | C28 H24 F N3 O6 S |
Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1ccc(cc1)F |
Stereo: | ACHIRAL |
logP: | 3.8891 |
logD: | 3.8891 |
logSw: | -3.9761 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.452 |
InChI Key: | DDOXQLSHAUWCTA-UHFFFAOYSA-N |