4-[6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide
Chemical Structure Depiction of
4-[6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide
4-[6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-5593 |
| Compound Name: | 4-[6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[(4-methoxyphenyl)methyl]butanamide |
| Molecular Weight: | 535.59 |
| Molecular Formula: | C28 H26 F N3 O5 S |
| Smiles: | COc1ccc(CNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCc2cccc(c2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3291 |
| logD: | 4.3291 |
| logSw: | -4.2419 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.88 |
| InChI Key: | YYKWMMQBGDYONY-UHFFFAOYSA-N |