N-(2-ethylhexyl)-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-ethylhexyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide
N-(2-ethylhexyl)-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: | K284-5375 |
| Compound Name: | N-(2-ethylhexyl)-4-[(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | CCCCC(CC)CNC(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5179 |
| logD: | 5.5108 |
| logSw: | -5.4945 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.118 |
| InChI Key: | LRWDKHBCGFYLLM-INIZCTEOSA-N |