2-{[8-oxo-7-(2-phenylethyl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[8-oxo-7-(2-phenylethyl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[8-oxo-7-(2-phenylethyl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | K284-6130 |
| Compound Name: | 2-{[8-oxo-7-(2-phenylethyl)-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C28 H27 N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2cc3c(cc2C(N1CCc1ccccc1)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1703 |
| logD: | 6.1703 |
| logSw: | -5.4477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.014 |
| InChI Key: | CEXRCVWLFYDCHS-UHFFFAOYSA-N |