N-(2,2-dimethoxyethyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-(2,2-dimethoxyethyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
N-(2,2-dimethoxyethyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-5376 |
| Compound Name: | N-(2,2-dimethoxyethyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | COC(CNC(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8976 |
| logD: | 1.8905 |
| logSw: | -2.9767 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.613 |
| InChI Key: | ZSZMKSRXWIBNMG-UHFFFAOYSA-N |