N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-{[2-(4-fluorophenyl)-2-oxoethyl]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-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-5886 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide |
| Molecular Weight: | 655.7 |
| Molecular Formula: | C35 H30 F N3 O7 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(=Nc4cc5c(cc4C3=O)OCO5)SCC(c3ccc(cc3)F)=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.8369 |
| logD: | 4.8369 |
| logSw: | -4.5521 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.649 |
| InChI Key: | SMWIASCUQGZEIO-UHFFFAOYSA-N |