6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)-N-[3-(pyrrolidin-1-yl)propyl]hexanamide
Chemical Structure Depiction of
6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)-N-[3-(pyrrolidin-1-yl)propyl]hexanamide
6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)-N-[3-(pyrrolidin-1-yl)propyl]hexanamide
Compound characteristics
| Compound ID: | K284-5156 |
| Compound Name: | 6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)-N-[3-(pyrrolidin-1-yl)propyl]hexanamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C22 H30 N4 O4 S |
| Smiles: | C(CCC(NCCCN1CCCC1)=O)CCN1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0308 |
| logD: | -1.0597 |
| logSw: | -2.9651 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.073 |
| InChI Key: | OKHSPDRJGIPYCC-UHFFFAOYSA-N |