4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-(2-phenylethyl)benzamide
Chemical Structure Depiction of
4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-(2-phenylethyl)benzamide
4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-(2-phenylethyl)benzamide
Compound characteristics
| Compound ID: | K284-5414 |
| Compound Name: | 4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-(2-phenylethyl)benzamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | C(CNC(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7825 |
| logD: | 3.7754 |
| logSw: | -4.184 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.688 |
| InChI Key: | NPDOXYHFOLUODI-UHFFFAOYSA-N |