N-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | K284-5883 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | 640.65 |
| Molecular Formula: | C33 H25 F N4 O7 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(Nc2ccc(cc2)F)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1721 |
| logD: | 5.1721 |
| logSw: | -5.3751 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.565 |
| InChI Key: | LNBGDJSDPRWHOU-UHFFFAOYSA-N |