3-{6-[(2-amino-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]propanamide
Chemical Structure Depiction of
3-{6-[(2-amino-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]propanamide
3-{6-[(2-amino-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]propanamide
Compound characteristics
| Compound ID: | K284-5499 |
| Compound Name: | 3-{6-[(2-amino-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]propanamide |
| Molecular Weight: | 484.49 |
| Molecular Formula: | C22 H20 N4 O7 S |
| Smiles: | C(CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC(N)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6277 |
| logD: | 1.6277 |
| logSw: | -2.7526 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.111 |
| InChI Key: | HVGRRTOTISBLEC-UHFFFAOYSA-N |