6-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-7-(prop-2-en-1-yl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-7-(prop-2-en-1-yl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-7-(prop-2-en-1-yl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | L541-0223 |
| Compound Name: | 6-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-7-(prop-2-en-1-yl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C21 H16 N4 O4 S |
| Smiles: | C=CCN1C(=Nc2cc3c(cc2C1=O)OCO3)SCc1nc(c2ccccc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.6606 |
| logD: | 4.6606 |
| logSw: | -4.6919 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.479 |
| InChI Key: | BGVIMJUDNCVDBG-UHFFFAOYSA-N |