N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-{[2-(4-fluoroanilino)-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-fluoroanilino)-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-fluoroanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-5922 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide |
| Molecular Weight: | 670.72 |
| Molecular Formula: | C35 H31 F N4 O7 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(=Nc4cc5c(cc4C3=O)OCO5)SCC(Nc3ccc(cc3)F)=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.7097 |
| logD: | 4.7096 |
| logSw: | -4.4109 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.551 |
| InChI Key: | OZALJPXEKYPSSQ-UHFFFAOYSA-N |