N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-{[(3-chlorophenyl)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-{[(3-chlorophenyl)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-{[(3-chlorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
Compound characteristics
Compound ID: | K284-5638 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-{[(3-chlorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide |
Molecular Weight: | 566.03 |
Molecular Formula: | C28 H24 Cl N3 O6 S |
Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1cccc(c1)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.7931 |
logD: | 4.7931 |
logSw: | -4.8322 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.452 |
InChI Key: | XGJYVTMARNHMKP-UHFFFAOYSA-N |