N-(3-chloro-4-methylphenyl)-2-{[8-oxo-7-(2-phenylethyl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[8-oxo-7-(2-phenylethyl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide
N-(3-chloro-4-methylphenyl)-2-{[8-oxo-7-(2-phenylethyl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K284-6134 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[8-oxo-7-(2-phenylethyl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}butanamide |
| Molecular Weight: | 536.05 |
| Molecular Formula: | C28 H26 Cl N3 O4 S |
| Smiles: | CCC(C(Nc1ccc(C)c(c1)[Cl])=O)SC1=Nc2cc3c(cc2C(N1CCc1ccccc1)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2332 |
| logD: | 7.2329 |
| logSw: | -6.3082 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.228 |
| InChI Key: | KWDRHKJFKVXBMA-VWLOTQADSA-N |