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]butanamide
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]butanamide
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]butanamide
Compound characteristics
| Compound ID: | K284-5711 |
| 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]butanamide |
| Molecular Weight: | 622.67 |
| Molecular Formula: | C31 H31 F N4 O7 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(Nc2ccc(cc2)F)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.9433 |
| logD: | 2.9433 |
| logSw: | -3.6183 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.588 |
| InChI Key: | KSDWGQJPJDXORH-UHFFFAOYSA-N |