N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-{[(4-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-{[(4-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-{[(4-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-5892 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-{[(4-fluorophenyl)methyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide |
| Molecular Weight: | 627.69 |
| Molecular Formula: | C34 H30 F N3 O6 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(=Nc4cc5c(cc4C3=O)OCO5)SCc3ccc(cc3)F)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0342 |
| logD: | 5.0342 |
| logSw: | -4.6038 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.402 |
| InChI Key: | RFQBOEWTMJCBQX-UHFFFAOYSA-N |