N-(2-ethylphenyl)-2-({7-[(4-methoxyphenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)butanamide
Chemical Structure Depiction of
N-(2-ethylphenyl)-2-({7-[(4-methoxyphenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)butanamide
N-(2-ethylphenyl)-2-({7-[(4-methoxyphenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | K284-6144 |
| Compound Name: | N-(2-ethylphenyl)-2-({7-[(4-methoxyphenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)butanamide |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C29 H29 N3 O5 S |
| Smiles: | CCC(C(Nc1ccccc1CC)=O)SC1=Nc2cc3c(cc2C(N1Cc1ccc(cc1)OC)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5244 |
| logD: | 6.5244 |
| logSw: | -5.6848 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.095 |
| InChI Key: | ZLMBGNYHUMLIBS-SANMLTNESA-N |