7-(4-tert-butylbenzene-1-sulfonyl)-2H-[1,3]dioxolo[4,5-g]quinolin-8(5H)-one
Chemical Structure Depiction of
7-(4-tert-butylbenzene-1-sulfonyl)-2H-[1,3]dioxolo[4,5-g]quinolin-8(5H)-one
7-(4-tert-butylbenzene-1-sulfonyl)-2H-[1,3]dioxolo[4,5-g]quinolin-8(5H)-one
Compound characteristics
| Compound ID: | C634-0072 |
| Compound Name: | 7-(4-tert-butylbenzene-1-sulfonyl)-2H-[1,3]dioxolo[4,5-g]quinolin-8(5H)-one |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C20 H19 N O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=CNc2cc3c(cc2C1=O)OCO3)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5894 |
| logD: | 4.5605 |
| logSw: | -4.3814 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.974 |
| InChI Key: | CBQBKNKETLNUGX-UHFFFAOYSA-N |