N-(2-ethylhexyl)-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
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)butanamide
N-(2-ethylhexyl)-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
Compound characteristics
| Compound ID: | K284-5219 |
| Compound Name: | N-(2-ethylhexyl)-4-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | CCCCC(CC)CNC(CCCN1C(c2cc3c(cc2NC1=S)OCO3)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8153 |
| logD: | 3.7934 |
| logSw: | -3.8208 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.155 |
| InChI Key: | NRVOCLFUKAJIMY-AWEZNQCLSA-N |