6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)-N-[(pyridin-3-yl)methyl]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-[(pyridin-3-yl)methyl]hexanamide
6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)-N-[(pyridin-3-yl)methyl]hexanamide
Compound characteristics
| Compound ID: | K284-5185 |
| Compound Name: | 6-(8-oxo-6-sulfanylidene-5,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)-N-[(pyridin-3-yl)methyl]hexanamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | C(CCC(NCc1cccnc1)=O)CCN1C(c2cc3c(cc2NC1=S)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0238 |
| logD: | 1.9995 |
| logSw: | -2.6061 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.401 |
| InChI Key: | PTWIKULVJIMJBI-UHFFFAOYSA-N |