N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Compound characteristics
| Compound ID: | K284-5491 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide |
| Molecular Weight: | 535.55 |
| Molecular Formula: | C27 H22 F N3 O6 S |
| Smiles: | C(CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1cccc(c1)F)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.513 |
| logD: | 4.513 |
| logSw: | -4.2991 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.452 |
| InChI Key: | IBFBYOKZPIARMW-UHFFFAOYSA-N |