4-({6-[(2-amino-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]benzamide
Chemical Structure Depiction of
4-({6-[(2-amino-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]benzamide
4-({6-[(2-amino-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-5858 |
| Compound Name: | 4-({6-[(2-amino-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}methyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]benzamide |
| Molecular Weight: | 546.56 |
| Molecular Formula: | C27 H22 N4 O7 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(N)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.982 |
| logD: | 2.982 |
| logSw: | -3.5934 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.075 |
| InChI Key: | QYOMDPORJKPLNU-UHFFFAOYSA-N |